PREFIX chemrof:
PREFIX rdf:
PREFIX rdfs:
PREFIX xsd:
chemrof:Reaction a rdfs:Class ;
rdfs:label "reaction" ;
rdfs:comment "Reaction" ;
rdfs:subClassOf chemrof:DomainEntity .
chemrof:has_reaction_smiles_representation a rdf:Property ;
rdfs:label "has reaction SMILES representation" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:has_reaction_representation .
rdfs:label a rdf:Property ;
rdfs:label "name" ;
rdfs:comment "name of chemical entity. E.g. nickel, carbon-16" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:information_property .
chemrof:has_rinchi_representation a rdf:Property ;
rdfs:label "has rinchi representation" ;
rdfs:comment "Proposed Reactions InChI" ;
rdfs:seeAlso ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_representation .
chemrof:reaction_rate a rdf:Property ;
rdfs:label "reaction rate" ;
rdfs:comment "the overall speed of a reaction, typically measured in concentration change per unit time" ;
rdfs:range xsd:float .
chemrof:reaction_rate_coefficient a rdf:Property ;
rdfs:label "reaction rate coefficient" ;
rdfs:comment "a proportionality constant that relates the reaction rate to reactant concentrations." ;
rdfs:range xsd:float .
chemrof:type a rdf:Property ;
rdfs:label "type" ;
rdfs:range xsd:anyURI .
chemrof:AtomGroupingByPeriodicTableBlock a rdfs:Class ;
rdfs:label "atom grouping by periodic table block" ;
rdfs:comment "Example: group 13 atom" ;
rdfs:subClassOf chemrof:AtomGroupingByPeriodicTablePlacement .
chemrof:smarts_string a rdf:Property ;
rdfs:label "smarts string" ;
rdfs:comment "a molecular pattern matching language, related to the popular SMILES molecular language, that can be used to specify sub-structural patterns in molecules." ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:subtype_of a rdf:Property ;
rdfs:label "subtype of" ;
rdfs:comment "A subtype_of relationship holds between C and P if C is a more specialized form of P. Here C and P denotes instances of OWL classes, where C and P both function as grouping class" , "grouping classes can be arranged in hierarchies arbitrarily deep. Note that subtype_of should only connect two grouping classes" ;
rdfs:domain ;
rdfs:range chemrof:MoleculeGroupingClass , chemrof:GroupingClass , chemrof:PhysicochemicalEntityGroupingClass , chemrof:MolecularComponentGroupingClass , chemrof:ChemicalGroupingClass , chemrof:MaterialGroupingClass , chemrof:ReactionGroupingClass ;
rdfs:subPropertyOf chemrof:owl_subclass_of , chemrof:chemical_to_chemical_relationship .
chemrof:owl_subclass_of a rdf:Property ;
rdfs:label "owl subclass of" ;
rdfs:comment "Holds between C and P if C owl:subClassOf P. Note that in this model, most classes are metaclasses (see 'owl class'), where these metaclasses may represent *groupings* or specific countable elements or species. We provide two different sub-properties of subclass of for two cases: (1) subtype_of, which connects grouping classes (e.g. alkane is_a hydrocarbon; alpha-amino-acid is_a amino-acid), (2) classified_by, which connects a specific element to a grouping class (e.g. methane is_a hydrocarbon; iron is_a metal; serine is_a amino-acid)" ;
rdfs:domain ;
rdfs:range ;
rdfs:subPropertyOf chemrof:classification_relationship .
chemrof:markush_string a rdf:Property ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:in_periodic_table_block a rdf:Property ;
rdfs:label "in periodic table block" ;
rdfs:comment "A block of the periodic table is a set of elements unified by the orbitals their valence electrons or vacancies lie in" , "block of periodic table unified by the orbitals their valence electrons or vacancies lie in" ;
rdfs:range chemrof:PeriodicTableBlockEnum .
chemrof:MoleculeGroupingClass a rdfs:Class ;
rdfs:label "molecule grouping class" ;
rdfs:comment "A grouping class that classifies molecules. Example: carbohydrate, monosaccharide, amino acid, polyacrylamide" ;
rdfs:subClassOf chemrof:ChemicalGroupingClass .
chemrof:ChemicalInformation a rdfs:Class ;
rdfs:label "chemical information" .
chemrof:MolecularSubsequence a rdfs:Class ;
rdfs:label "molecular subsequence" ;
rdfs:subClassOf chemrof:PolymerPart .
chemrof:smiles_string a rdf:Property ;
rdfs:label "smiles string" ;
rdfs:comment "A string encoding of a molecular graph, no chiral or isotopic information. There are usually a large number of valid SMILES which represent a given structure. For example, CCO, OCC and C(O)C all specify the structure of ethanol." ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:empirical_formula a rdf:Property ;
rdfs:label "empirical formula" ;
rdfs:comment "A chemical formula where numbers denote relative proportion of atoms. E.g. CH2O for glucose" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:inchi_string a rdf:Property ;
rdfs:label "InChi" ;
rdfs:seeAlso ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:has_major_microspecies_at_p_h_7_3 a rdf:Property ;
rdfs:label "has physiologically stable form" ;
rdfs:comment "Links different variants of the same chemical in different protonation states, where the target of this link is the (predicited) to be most common protonation state for this chemical at a pH of 7.3. This link may point to it's source. Connects an acid to the form that is stable at physiological pH (7.3). E.g. citric acid has physiological base citrate(3-)" ;
rdfs:seeAlso ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range chemrof:ChemicalEntity , chemrof:ChemicalElement ;
rdfs:subPropertyOf chemrof:acid_form_of .
chemrof:molecular_mass a rdf:Property ;
rdfs:label "molecular mass" ;
rdfs:comment "The sum of the relative atomic masses of the constituent atoms of a molecule." ;
rdfs:range xsd:float ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:inchi_chemical_sublayer a rdf:Property ;
rdfs:label "inchi chemical sublayer" ;
rdfs:comment "The part of an InChI string that represents the chemical formula, occurring after the version string. E.g. C6H12O6 for glucose" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer_in_main_layer .
chemrof:inchi_atom_connections_sublayer a rdf:Property ;
rdfs:label "inchi atom connections sublayer" ;
rdfs:comment "The atoms in the chemical formula (except for hydrogens) are numbered in sequence; this sublayer describes which atoms are connected by bonds to which other ones." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer_in_main_layer .
chemrof:is_radical a rdf:Property ;
rdfs:label "is radical" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:boolean .
a rdf:Property ;
rdfs:label "IUPAC name" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:information_property .
chemrof:has_chemical_role a rdf:Property ;
rdfs:label "has chemical role" ;
rdfs:range chemrof:ChemicalRole .
chemrof:pka_ionization_constant a rdf:Property ;
rdfs:label "pKa ionization constant" ;
rdfs:comment "The negative logarithm of the acid dissociation constant (Ka) for ionizable groups in a molecule. Multiple pKa values may exist for molecules with multiple ionizable groups." ;
rdfs:range xsd:float ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:water_solubility a rdf:Property ;
rdfs:label "water solubility" ;
rdfs:comment "The maximum amount of a substance that can dissolve in water at 25°C, expressed in grams per liter (g/L)." ;
rdfs:range xsd:float ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:Radionuclide a rdfs:Class ;
rdfs:label "radionuclide" ;
rdfs:comment "an atom that has excess nuclear energy, making it unstable" ;
rdfs:subClassOf chemrof:Nuclide .
chemrof:energy_level a rdf:Property ;
rdfs:label "energy level" ;
rdfs:comment "e.g. ground, stable" ;
rdfs:range xsd:string .
a rdf:Property ;
rdfs:label "atomic number" ;
rdfs:comment "number of protons in an atom" ;
rdfs:domain chemrof:Atom ;
rdfs:range xsd:int ;
rdfs:subPropertyOf chemrof:subatomic_particle_count .
a rdf:Property ;
rdfs:label "symbol" ;
rdfs:comment "short symbol for chemical entity, e.g. K, C-16" , "E.g. O, K, Ge" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:information_property .
chemrof:has_nuclear_parts a rdf:Property ;
rdfs:label "has nuclear parts" ;
rdfs:domain chemrof:Atom ;
rdfs:range chemrof:SubatomicParticleOccurrence ;
rdfs:subPropertyOf chemrof:property_of_atom .
chemrof:Moiety a rdfs:Class ;
rdfs:label "moiety" ;
rdfs:comment "a named part of a molecule. In some instances moieties may be composed of yet smaller moieties and functional groups" ;
rdfs:subClassOf chemrof:MolecularComponent .
chemrof:Atom a rdfs:Class ;
rdfs:label "atom" ;
rdfs:comment "A chemical entity consisting of exactly one atomic nucleus and the electron(s) orbiting it." ;
rdfs:subClassOf chemrof:ChemicalEntity .
chemrof:Location a rdfs:Class ;
rdfs:label "location" ;
rdfs:comment "Abstract grouping for entities that represent abstract or concrete locations of chemical entities or their parts." .
chemrof:NaturalProduct a rdfs:Class ;
rdfs:label "natural product" ;
rdfs:subClassOf chemrof:Molecule .
chemrof:has_bonds a rdf:Property ;
rdfs:label "has bonds" ;
rdfs:comment "The set of all bonds connecting atoms in a molecule" ;
rdfs:domain chemrof:Molecule ;
rdfs:range .
chemrof:derived_from_organisms a rdf:Property ;
rdfs:range xsd:anyURI .
chemrof:has_atoms a rdf:Property ;
rdfs:label "has atoms" ;
rdfs:comment "Relation between a molecule and the atoms it contains. Note that this is a shortcut relation: for granular representations go via atom occurrences" ;
rdfs:domain chemrof:Molecule ;
rdfs:range chemrof:Atom ;
rdfs:subPropertyOf chemrof:has_part .
chemrof:is_organic a rdf:Property ;
rdfs:label "is organic" ;
rdfs:comment "An organic molecule is a molecule composed of organic atoms (at least carbon, hydrogen, and optionally oxygen, phosphorus, nitrogen, sulfur) [SIO]" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:boolean .
chemrof:has_atom_occurrences a rdf:Property ;
rdfs:label "has atom occurrences" ;
rdfs:comment "An individuated atom in the context of a chemical structure." ;
rdfs:range chemrof:AtomOccurrence .
chemrof:has_submolecules a rdf:Property ;
rdfs:label "has submolecules" ;
rdfs:comment "Relation between a molecule and the molecules it is made from." ;
rdfs:domain chemrof:Molecule ;
rdfs:range chemrof:Molecule ;
rdfs:subPropertyOf chemrof:has_part .
chemrof:PhysicochemicalEntity a rdfs:Class ;
rdfs:label "physicochemical entity" ;
rdfs:comment "A discrete chemical structure, material structure, or subatomic particle type" ;
rdfs:subClassOf chemrof:DomainEntity .
chemrof:NonSpeciesMolecule a rdfs:Class ;
rdfs:label "non species molecule" ;
rdfs:comment "A molecule in which the units are not identical. TODO: move this higher" ;
rdfs:subClassOf chemrof:Molecule .
chemrof:Stereocenter a rdfs:Class ;
rdfs:label "stereocenter" ;
rdfs:comment "a geometric point in a molecule in which the interchanging of two substituents creates a stereoisomer." ;
rdfs:subClassOf chemrof:Location .
chemrof:GeneralAcidBaseGroupingClass a rdfs:Class ;
rdfs:label "general acid base grouping class" ;
rdfs:comment "A molecule grouping class that can groups an acid together with all its conjugate bases. physiological" ;
rdfs:subClassOf chemrof:GroupingClassForAcidsOrBases .
chemrof:conjugate_acid_of a rdf:Property ;
rdfs:label "conjugate acid of" ;
rdfs:seeAlso ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range chemrof:DomainEntity ;
rdfs:subPropertyOf chemrof:has_higher_charge_from , chemrof:direct_conjugatated_form_of .
chemrof:conjugate_base_of a rdf:Property ;
rdfs:label "conjugate base of" ;
rdfs:comment "connects the base form of an acid to an acid. Also connects the different charge states of the base. Example: the different charge states of lactate (CHEBI:24996) conjugate base of lactic acid (CHEBI:28358)" ;
rdfs:seeAlso ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range chemrof:DomainEntity ;
rdfs:subPropertyOf chemrof:has_lower_charge_from , chemrof:direct_conjugatated_form_of .
chemrof:Protein a rdfs:Class ;
rdfs:label "protein" ;
rdfs:comment "A macromolecule composed of one or more polypeptide chains of amino acids that fold into a specific three-dimensional structure and perform biological functions" ;
rdfs:subClassOf chemrof:Macromolecule .
chemrof:MoleculeByChargeState a rdfs:Class ;
rdfs:label "molecule by charge state" ;
rdfs:comment "A molecule that has a charge state specified" ;
rdfs:subClassOf chemrof:Molecule .
chemrof:bronsted_acid_base_role a rdf:Property ;
rdfs:label "bronsted acid base role" ;
rdfs:range chemrof:BronstedAcidBaseRoleEnum .
chemrof:NetUnchargedMolecule a rdfs:Class ;
rdfs:label "uncharged molecule" ;
rdfs:comment "A molecule that has no net charge" ;
rdfs:subClassOf chemrof:MoleculeByChargeState , chemrof:Uncharged .
chemrof:elemental_charge a rdf:Property ;
rdfs:label "elemental charge" ;
rdfs:comment "number of protons minus number of electrons" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:integer ;
rdfs:subPropertyOf chemrof:property_of_atom .
chemrof:DnaSequenceInterval a rdfs:Class ;
rdfs:label "DNA sequence interval" ;
rdfs:subClassOf chemrof:NucleotideSequenceInterval .
chemrof:has_sequence_representation a rdf:Property ;
rdfs:label "has sequence representation" ;
rdfs:comment "By convention the sequence string is always the DNA sequence. For RNA intervals, this is the cDNA sequence" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_representation .
chemrof:AtomOccurrence a rdfs:Class ;
rdfs:label "atom occurrence" ;
rdfs:comment "An occurrence of an atom in the context of a particular molecule. For example, one of two occurrences of oxygen in nitrate" ;
rdfs:subClassOf chemrof:ChemicalRelationship , .
chemrof:coordination_number a rdf:Property ;
rdfs:comment "The number of atoms bonded to the atom of interest. [https://doi.org/10.1021%2Fed083p791]" ;
rdfs:range xsd:integer .
chemrof:occurrence_of a rdf:Property ;
rdfs:range chemrof:Atom , chemrof:SubatomicParticle .
chemrof:oxidation_number a rdf:Property ;
rdfs:comment "The charge remaining on an atom when all ligands are removed heterolytically in their closed form, with the electrons being transferred to the more electronegative partner; homonuclear bonds do not contribute to the oxidation number. [https://doi.org/10.1021%2Fed083p791]" ;
rdfs:range xsd:integer .
chemrof:formal_charge a rdf:Property ;
rdfs:comment "The charge remaining on an atom when all ligands are removed homolytically. [https://doi.org/10.1021%2Fed083p791]" ;
rdfs:range xsd:integer .
chemrof:valence a rdf:Property ;
rdfs:comment "the number of electrons that an atom uses in bonding [https://doi.org/10.1021%2Fed083p791]" ;
rdfs:range xsd:integer .
chemrof:MolecularDerivativeGroupingClass a rdfs:Class ;
rdfs:label "molecular derivative grouping class" ;
rdfs:comment "A grouping class defined as a derivative of another molecule or molecular grouping class" ;
rdfs:subClassOf chemrof:MoleculeGroupingClass .
chemrof:derivative_of a rdf:Property ;
rdfs:label "derivative of" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range chemrof:DomainEntity ;
rdfs:subPropertyOf chemrof:alternate_form_of .
chemrof:PartiallySpecifiedAtom a rdfs:Class ;
rdfs:label "partially specified atom" ;
rdfs:comment "An atom type that only has a subset of properties (has atomic number, charge, and neutron number) stated" ;
rdfs:subClassOf chemrof:Atom .
chemrof:AnionState a rdfs:Class ;
rdfs:label "anion state" ;
rdfs:comment "This mixin is applied on an entity (atom or molecule) that is negatively charged" ;
rdfs:subClassOf chemrof:Charged .
chemrof:ChemicalEntity a rdfs:Class ;
rdfs:label "chemical entity" ;
rdfs:comment "A discrete structure that is one or more atoms that can be described by a chemical formula." ;
rdfs:subClassOf chemrof:PhysicochemicalEntity , .
chemrof:Molecule a rdfs:Class ;
rdfs:label "molecule" ;
rdfs:comment "A chemical entity that consists of two or more atoms where all atoms are connected via covalent bonds." ;
rdfs:subClassOf chemrof:PolyatomicEntity , chemrof:FullyCovalentlyBonded .
chemrof:InchiObject a rdfs:Class ;
rdfs:label "inchi object" ;
rdfs:comment "A representation of an InChI string as an object, composed of distinct sublayers" ;
rdfs:seeAlso ;
rdfs:subClassOf chemrof:ChemicalInformation .
chemrof:TanimotoSimilarity a rdfs:Class ;
rdfs:label "tanimoto similarity" ;
rdfs:subClassOf chemrof:MoleculePairwiseSimilarity .
chemrof:FullyCovalentlyBonded a rdfs:Class ;
rdfs:label "fully covalently bonded" ;
rdfs:comment "All pairs of atoms in this entity are transitively connected via covalent bonds" ;
rdfs:subClassOf chemrof:Connectivity .
chemrof:GroupingClassForAcidsOrBases a rdfs:Class ;
rdfs:label "grouping class for acids or bases" ;
rdfs:subClassOf chemrof:MoleculeGroupingClass .
chemrof:AtomAnion a rdfs:Class ;
rdfs:label "atom anion" ;
rdfs:comment "A monoatomic ion that is negative" ;
rdfs:subClassOf chemrof:MonoatomicIon , chemrof:AnionState .
chemrof:has_element a rdf:Property ;
rdfs:label "has element" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range chemrof:ChemicalElement ;
rdfs:subPropertyOf chemrof:alternate_form_of .
chemrof:Macromolecule a rdfs:Class ;
rdfs:label "macromolecule" ;
rdfs:comment "A large molecule, such as a polymer, lipid, or macrocycle" ;
rdfs:subClassOf chemrof:Molecule .
chemrof:FunctionalGroup a rdfs:Class ;
rdfs:label "functional group" ;
rdfs:subClassOf chemrof:MolecularComponent .
chemrof:PeriodicTablePlacement a rdfs:Class ;
rdfs:label "periodic table placement" ;
rdfs:subClassOf chemrof:ChemicalInformation .
chemrof:AtomGroupingClass a rdfs:Class ;
rdfs:label "atom grouping class" ;
rdfs:comment "A grouping class that classifies atoms. For example, metal atom" ;
rdfs:subClassOf chemrof:ChemicalGroupingClass .
chemrof:Collection a rdfs:Class .
chemrof:entities a rdf:Property ;
rdfs:range chemrof:DomainEntity .
chemrof:GroupingClass a rdfs:Class ;
rdfs:label "grouping class" ;
rdfs:comment "Instances of this class represent generic concepts that can be used to group more specific concepts, or to classify entities" ;
rdfs:subClassOf .
chemrof:PolymerRepeatUnit a rdfs:Class ;
rdfs:label "polymer repeat unit" ;
rdfs:comment "An abstract part of a polymer that is all instances of a repeated monomer of a single type" ;
rdfs:seeAlso ;
rdfs:subClassOf chemrof:ChemicalRelationship .
chemrof:AtomGroupingByPeriodicTableGroup a rdfs:Class ;
rdfs:label "atom grouping by periodic table group" ;
rdfs:comment "Example: p-block atom" ;
rdfs:subClassOf chemrof:AtomGroupingByPeriodicTablePlacement .
chemrof:in_periodic_table_group a rdf:Property ;
rdfs:label "in periodic table group" ;
rdfs:comment "which number in periodic table column" ;
rdfs:range xsd:int .
chemrof:PhysicochemicalEntityGroupingClass a rdfs:Class ;
rdfs:label "physicochemical entity grouping class" ;
rdfs:subClassOf chemrof:GroupingClass .
chemrof:ChemicalSaltGroupingClass a rdfs:Class ;
rdfs:label "chemical salt grouping class" ;
rdfs:comment "A grouping class for a chemical salt" ;
rdfs:subClassOf chemrof:MoleculeGroupingClass .
chemrof:has_anionic_component a rdf:Property ;
rdfs:label "has anionic component" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:has_ionic_component .
chemrof:has_cationic_component a rdf:Property ;
rdfs:label "has cationic component" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:has_ionic_component .
chemrof:ChemicalGroupingByCharge a rdfs:Class ;
rdfs:label "chemical grouping by charge" ;
rdfs:comment "A grouping class that refines a charge-neutral entity" ;
rdfs:subClassOf chemrof:ChemicalGroupingClass .
chemrof:AtomGroupingByProperty a rdfs:Class ;
rdfs:label "atom grouping by property" ;
rdfs:comment "Example: metal atom" ;
rdfs:subClassOf chemrof:AtomGroupingClass .
chemrof:EntityWithStereochemistrySpecified a rdfs:Class ;
rdfs:label "entity with stereochemistry specified" ;
rdfs:comment "A mixin for an entity where the stereochemistry is explicitly specified (corresponding to the /t, m/, and /s layers in InChI)" ;
rdfs:subClassOf chemrof:SpecificityMixin .
chemrof:inchi_stereochemical_double_bond_sublayer a rdf:Property ;
rdfs:label "inchi stereochemical double bond sublayer" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer .
chemrof:inchi_tetrahedral_stereochemical_sublayer a rdf:Property ;
rdfs:label "inchi tetrahedral stereochemical sublayer" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer .
chemrof:inchi_stereochemical_type_sublayer a rdf:Property ;
rdfs:label "inchi stereochemical type sublayer" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer .
chemrof:SmallMolecule a rdfs:Class ;
rdfs:label "small molecule" ;
rdfs:comment "A molecule characterized by availability in small-molecule databases" ;
rdfs:subClassOf chemrof:Molecule .
chemrof:Homopolymer a rdfs:Class ;
rdfs:label "homopolymer" ;
rdfs:comment "a polymer with a single type of repeating unit" ;
rdfs:subClassOf chemrof:MonomolecularPolymer .
chemrof:polymer_architecture_type a rdf:Property ;
rdfs:label "polymer architecture type" ;
rdfs:comment "morphological structure of a polymer" ;
rdfs:seeAlso ;
rdfs:range xsd:string .
chemrof:is_branched a rdf:Property ;
rdfs:label "is branched" ;
rdfs:seeAlso ;
rdfs:range xsd:boolean .
chemrof:polymer_of a rdf:Property ;
rdfs:label "polymer of" ;
rdfs:range chemrof:Macromolecule ;
rdfs:subPropertyOf chemrof:has_part .
chemrof:has_repeat_unit a rdf:Property ;
rdfs:label "has repeat unit" ;
rdfs:range chemrof:ChemicalEntity .
chemrof:ChemicalSalt a rdfs:Class ;
rdfs:label "chemical salt" ;
rdfs:comment "a chemical compound consisting of an ionic assembly of cations and anions." ;
rdfs:seeAlso , ;
rdfs:subClassOf chemrof:PreciseChemicalMixture .
chemrof:MonomolecularPolymer a rdfs:Class ;
rdfs:label "monomolecular polymer" ;
rdfs:comment "A macromolecule composed of repeating subunits. Examples: cellulose" ;
rdfs:subClassOf chemrof:Macromolecule .
chemrof:MolecularComponentGroupingClass a rdfs:Class ;
rdfs:label "molecular component grouping class" ;
rdfs:comment "A grouping class that classifies molecular components. Example: inorganic anion group" ;
rdfs:subClassOf chemrof:ChemicalGroupingClass .
chemrof:Nuclide a rdfs:Class ;
rdfs:label "nuclide" ;
rdfs:comment "an atomic species characterized by the specific constitution of its nucleus" ;
rdfs:subClassOf chemrof:PartiallySpecifiedAtom .
chemrof:PolymerPart a rdfs:Class ;
rdfs:label "polymer part" ;
rdfs:subClassOf chemrof:MolecularComponent .
chemrof:Enantiomer a rdfs:Class ;
rdfs:label "enantiomer" ;
rdfs:comment "one of two stereoisomers of a chiral molecule that are mirror images. Example: R-thalidomide" ;
rdfs:subClassOf chemrof:Stereoisomer .
chemrof:ChemicalSimilarity a rdfs:Class ;
rdfs:label "similarity" ;
rdfs:comment "A relationship between two or more chemical entities where there is some degree of similarity between these entities on their similarity" ;
rdfs:subClassOf chemrof:ChemicalRelationship .
chemrof:Mineral a rdfs:Class ;
rdfs:label "mineral" ;
rdfs:subClassOf chemrof:Material .
chemrof:SubatomicParticle a rdfs:Class ;
rdfs:label "subatomic particle" ;
rdfs:comment "A chemical entity below the granularity of an atom." ;
rdfs:subClassOf chemrof:PhysicochemicalEntity .
chemrof:subatomic_particle_type a rdf:Property ;
rdfs:label "subatomic particle type" ;
rdfs:range chemrof:SubatomicParticleEnum .
chemrof:RacemicMixture a rdfs:Class ;
rdfs:label "racemic mixture" ;
rdfs:comment "a chemical compound that has equal amounts of left- and right-handed enantiomers of a chiral molecule. An example is Thalidomide" ;
rdfs:seeAlso ;
rdfs:subClassOf chemrof:PreciseChemicalMixture .
chemrof:Copolymer a rdfs:Class ;
rdfs:label "copolymer" ;
rdfs:comment "a polymer with a more than one type of repeating unit" ;
rdfs:subClassOf chemrof:MonomolecularPolymer .
chemrof:GeneralizedMolecularStructureClass a rdfs:Class ;
rdfs:label "generalized molecular structure class" ;
rdfs:comment "A molecule grouping class that can be written using a chemical formula using variables (e.g. n), or arithmetic expressions uing variables (e.g. 2n+2), plus optionally constraints on those variables (e.g. n>3). An example is alkane; CnH2n+2, which groups specific molecules such as methane" ;
rdfs:subClassOf chemrof:MoleculeGroupingClass .
chemrof:UnchargedAtom a rdfs:Class ;
rdfs:label "uncharged atom" ;
rdfs:comment "An atom type that has no charge" ;
rdfs:subClassOf chemrof:AtomIonicForm , chemrof:Uncharged .
chemrof:Material a rdfs:Class ;
rdfs:label "material" ;
rdfs:comment "A substance composed of repeated chemical units that has a specific arrangement of atoms or molecules." ;
rdfs:subClassOf chemrof:PhysicochemicalEntity .
a rdfs:Class ;
rdfs:label "owl class" ;
rdfs:comment "instances of this class mixin are OWL Classes" .
chemrof:EntityWithConnectivitySpecificied a rdfs:Class ;
rdfs:label "entity with connectivity specificied" ;
rdfs:comment "A mixin for an entity that consists of two or more atom occurrences where the connectivity is specified (corresponding to the /c layer in InChI)" ;
rdfs:subClassOf chemrof:SpecificityMixin .
chemrof:inchi_hydrogen_connections_sublayer a rdf:Property ;
rdfs:label "inchi hydrogen connections sublayer" ;
rdfs:comment "Describes how many hydrogen atoms are connected to each of the other atoms." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer_in_main_layer .
chemrof:IsomeraseReaction a rdfs:Class ;
rdfs:label "isomerase reaction" ;
rdfs:comment "A reaction that converts a molecule from one isomer to another." ;
rdfs:subClassOf chemrof:Reaction .
chemrof:PolyatomicIon a rdfs:Class ;
rdfs:label "polyatomic ion" ;
rdfs:comment "A molecule that has a net charge. For example, nitrate is a molecular and ionic species; its formula is (NO3-)." ;
rdfs:subClassOf chemrof:MoleculeByChargeState , chemrof:Charged .
chemrof:Uncharged a rdfs:Class ;
rdfs:label "uncharged" ;
rdfs:comment "Applies to entities that are uncharged, i.e. have an elemental charge of zero" ;
rdfs:subClassOf chemrof:ChargeState .
chemrof:ImpreciseChemicalMixture a rdfs:Class ;
rdfs:label "imprecise chemical mixture" ;
rdfs:comment "A macroscopic polyatomic entity that consists of multiple chemical entities where the stoichiometry is not specified and the spatial arrangement of the ingredients is not defined. Examples include coal, tea tree oil, toothpaste, organometallic compounds, heterogeneous metals" ;
rdfs:seeAlso ;
rdfs:subClassOf chemrof:ChemicalMixture .
chemrof:has_mixfile_location a rdf:Property ;
rdfs:label "has mixfile location" ;
rdfs:comment "Location of a MixFile representing a chemical mixture" ;
rdfs:seeAlso , ;
rdfs:range xsd:anyURI ;
rdfs:subPropertyOf chemrof:information_property .
chemrof:has_proportional_parts a rdf:Property ;
rdfs:label "has proportional parts" ;
rdfs:comment "Relationship between a complex mixture and its parts" ;
rdfs:domain chemrof:ImpreciseChemicalMixture ;
rdfs:range chemrof:ProportionalPart .
chemrof:has_minchi_representation a rdf:Property ;
rdfs:label "has minchi representation" ;
rdfs:comment "Proposed new Mixtures InChI" ;
rdfs:seeAlso ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_representation .
chemrof:DomainEntity a rdfs:Class ;
rdfs:label "domain entity" ;
rdfs:comment "A discrete, specific named entity in the domain of chemistry." .
chemrof:Glycan a rdfs:Class ;
rdfs:label "glycan" ;
rdfs:comment "A macromolecule consisting of a large number of monosaccharides linked glycosidically" ;
rdfs:subClassOf chemrof:Macromolecule .
chemrof:MoleculeGroupingClassDefinedByAdditionOfAGroup a rdfs:Class ;
rdfs:label "molecule grouping class defined by addition of a group" ;
rdfs:comment "A grouping class defined in terms of a derivative of a molecule and the addition of a group" ;
rdfs:subClassOf chemrof:MoleculeGroupingClass .
chemrof:NucleotideSequenceInterval a rdfs:Class ;
rdfs:label "nucleotide sequence interval" ;
rdfs:subClassOf chemrof:SequenceInterval .
chemrof:SupramolecularPolymer a rdfs:Class ;
rdfs:label "supramolecular polymer" ;
rdfs:comment "polymeric arrays of monomeric units that are connected by reversible and highly directional secondary interactions–that is, non-covalent bonds" ;
rdfs:subClassOf chemrof:MolecularComplex .
chemrof:MolecularComponent a rdfs:Class ;
rdfs:label "molecular component" ;
rdfs:comment "A proper part of a molecule that is larger than an atom" ;
rdfs:subClassOf chemrof:PolyatomicEntity .
chemrof:ChemicalGroupingClass a rdfs:Class ;
rdfs:label "chemical grouping class" ;
rdfs:comment "Instances of this class represent generic chemical concepts that can be used to group more specific concepts, or to classify entities. For example \"amino acid\" is a grouping for \"serine\", \"leucine\" etc; ester is a grouping for nitroglycerin; alkane is a grouping for pentane, butane, methane, etc" ;
rdfs:subClassOf chemrof:PhysicochemicalEntityGroupingClass , .
chemrof:RnaSequenceInterval a rdfs:Class ;
rdfs:label "RNA sequence interval" ;
rdfs:subClassOf chemrof:NucleotideSequenceInterval .
chemrof:EntityWithIsotopeSpecified a rdfs:Class ;
rdfs:label "entity with isotope specified" ;
rdfs:comment "A mixin for an entity where the charge is explicitly specified (corresponding to the /q layer in InChI)" ;
rdfs:subClassOf chemrof:SpecificityMixin .
chemrof:inchi_isotopic_layer a rdf:Property ;
rdfs:label "inchi isotopic layer" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer .
chemrof:Isotope a rdfs:Class ;
rdfs:label "isotope" ;
rdfs:comment "A specific subtype of an atom with a specified neutron number" ;
rdfs:subClassOf chemrof:Nuclide .
chemrof:isotope_of a rdf:Property ;
rdfs:label "isotope of" ;
rdfs:comment "relationship that holds between two isotopes, always holds if the isotopes have the same atomic number and a different neutron number." ;
rdfs:domain chemrof:Isotope ;
rdfs:range chemrof:Isotope ;
rdfs:subPropertyOf chemrof:alternate_form_of .
chemrof:decay_product a rdf:Property ;
rdfs:label "decay product" ;
rdfs:domain chemrof:Isotope ;
rdfs:range chemrof:Isotope ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:mode_of_formation a rdf:Property ;
rdfs:label "mode of formation" ;
rdfs:domain chemrof:Isotope ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:decay_energy a rdf:Property ;
rdfs:label "decay energy" ;
rdfs:domain chemrof:Isotope ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:decay_mode a rdf:Property ;
rdfs:label "decay mode" ;
rdfs:domain chemrof:Isotope ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:neutron_number a rdf:Property ;
rdfs:label "neutron number" ;
rdfs:comment "number of neutrons in an atom" ;
rdfs:domain chemrof:Atom ;
rdfs:range xsd:int ;
rdfs:subPropertyOf chemrof:subatomic_particle_count .
chemrof:half_life a rdf:Property ;
rdfs:label "half life" ;
rdfs:domain chemrof:Isotope ;
rdfs:range xsd:int ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:StandardInchiObject a rdfs:Class ;
rdfs:label "standard inchi object" ;
rdfs:seeAlso ;
rdfs:subClassOf chemrof:InchiObject .
chemrof:inchi_version_string a rdf:Property ;
rdfs:label "inchi version string" ;
rdfs:comment "The first part of the inchi_string, after 'InChI='" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_component .
chemrof:inchi_proton_sublayer a rdf:Property ;
rdfs:label "inchi proton sublayer" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer .
chemrof:inchi_charge_sublayer a rdf:Property ;
rdfs:label "inchi charge sublayer" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer .
chemrof:Stereoisomer a rdfs:Class ;
rdfs:label "stereoisomer" ;
rdfs:subClassOf chemrof:Molecule .
chemrof:SequenceInterval a rdfs:Class ;
rdfs:label "sequence interval" ;
rdfs:comment "a chain of connected monomers in a linear polymer - for example, a sub-region of an amino acid or nucleotide sequence." ;
rdfs:subClassOf chemrof:MolecularComponent .
chemrof:AcidBaseConflationClass a rdfs:Class ;
rdfs:label "acid base conflation class" ;
rdfs:comment "A molecule grouping class that can groups an acid together with all its conjugate bases. physiological" ;
rdfs:subClassOf chemrof:GroupingClassForAcidsOrBases .
chemrof:ChemicalEntityOrGrouping a rdfs:Class ;
rdfs:label "chemical entity or grouping" .
chemrof:Isobar a rdfs:Class ;
rdfs:label "isobar" ;
rdfs:comment "Isobars are atoms (nuclides) of different chemical elements that have the same number of nucleons." ;
rdfs:subClassOf chemrof:Nuclide .
chemrof:nucleon_number a rdf:Property ;
rdfs:label "nucleon number" ;
rdfs:comment "number of nucleons in an atom. proton number plus neutron number." ;
rdfs:domain chemrof:Atom ;
rdfs:range xsd:int ;
rdfs:subPropertyOf chemrof:subatomic_particle_count .
chemrof:isobar_of a rdf:Property ;
rdfs:label "isobar of" ;
rdfs:comment "equal mass number (Z1 + N1 = Z2 + N2)" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range chemrof:ChemicalEntity ;
rdfs:subPropertyOf chemrof:alternate_form_of .
chemrof:WeaklyBonded a rdfs:Class ;
rdfs:label "weakly bonded" ;
rdfs:comment "Not covalently bonded" ;
rdfs:subClassOf chemrof:Connectivity .
chemrof:MaterialGroupingClass a rdfs:Class ;
rdfs:label "material grouping class" ;
rdfs:comment "A grouping class that classifies materials" ;
rdfs:subClassOf chemrof:PhysicochemicalEntityGroupingClass .
chemrof:ChemicalRole a rdfs:Class ;
rdfs:label "chemical role" ;
rdfs:comment "A characteristic of a chemical entity that is realized under particular conditions" ;
rdfs:subClassOf .
chemrof:ChemicalMixture a rdfs:Class ;
rdfs:label "chemical mixture" ;
rdfs:comment "A polyatomic entity that consists of two or more parts that are weakly bound, may be of known or unknown stoichiometry" ;
rdfs:subClassOf chemrof:PolyatomicEntity .
chemrof:EntityWithChargeSpecified a rdfs:Class ;
rdfs:label "entity with charge specified" ;
rdfs:comment "A mixin for an entity where the charge is explicitly specified (corresponding to the /q layer in InChI)" ;
rdfs:subClassOf chemrof:SpecificityMixin .
chemrof:ChemicalElement a rdfs:Class ;
rdfs:label "chemical element" ;
rdfs:comment "generic form of an atom, with unspecified neutron or charge" ;
rdfs:seeAlso ;
rdfs:subClassOf chemrof:PartiallySpecifiedAtom .
chemrof:MolecularSpecies a rdfs:Class ;
rdfs:label "molecular species" ;
rdfs:comment "A molecule in which the units are identical. Example: methyl" ;
rdfs:subClassOf chemrof:Molecule .
chemrof:EntityWithAtomsEnumerated a rdfs:Class ;
rdfs:label "entity with atoms enumerated" ;
rdfs:comment "A mixin for an entity that consists of one or more atoms where the atoms and the number of occurrences is counted (corresponding to the chemical layer in InChI)" ;
rdfs:subClassOf chemrof:SpecificityMixin .
chemrof:ProportionalPart a rdfs:Class ;
rdfs:label "proportional part" ;
rdfs:comment "A part of a complex mixture that is of uniform composition" ;
rdfs:subClassOf chemrof:ChemicalRelationship .
chemrof:ChargeState a rdfs:Class ;
rdfs:label "charge state" ;
rdfs:comment "Applies to entities that have a charge state, which may be positive, negative, or neutral" ;
rdfs:subClassOf chemrof:State .
a rdfs:Class ;
rdfs:label "atomic bond" ;
rdfs:comment "A connection between two atoms. Note this is the reified form of 'atomically connected to'. " ;
rdfs:subClassOf chemrof:ChemicalRelationship , .
chemrof:subject a rdf:Property ;
rdfs:range chemrof:AtomOccurrence .
chemrof:bond_length a rdf:Property ;
rdfs:comment "the average distance between nuclei of two bonded atoms in a molecule" ;
rdfs:domain ;
rdfs:range xsd:float .
chemrof:bond_type a rdf:Property ;
rdfs:range chemrof:BondTypeEnum .
chemrof:bond_length_in_angstroms a rdf:Property ;
rdfs:comment "the average distance between nuclei of two bonded atoms in a molecule. It is a transferable property of a bond between atoms of fixed types, relatively independent of the rest of the molecule." ;
rdfs:range xsd:float .
chemrof:bond_angle a rdf:Property ;
rdfs:range xsd:float .
chemrof:bond_order a rdf:Property ;
rdfs:comment "the number of electron pairs (bonds) between a pair of atoms" ;
rdfs:domain ;
rdfs:range xsd:integer .
chemrof:bond_energy a rdf:Property ;
rdfs:comment "the measure of bond strength in a chemical bond." ;
rdfs:range xsd:float .
chemrof:torsional_angle a rdf:Property ;
rdfs:range xsd:float .
chemrof:object a rdf:Property ;
rdfs:range chemrof:AtomOccurrence .
chemrof:AtomCation a rdfs:Class ;
rdfs:label "atom cation" ;
rdfs:comment "A monoatomic ion that is positive, e.g Cu(2+)" ;
rdfs:subClassOf chemrof:MonoatomicIon , chemrof:CationState .
chemrof:ChemicalSaltByAnion a rdfs:Class ;
rdfs:label "chemical salt by anion" ;
rdfs:comment "A grouping class for a chemical salt named by anion" ;
rdfs:subClassOf chemrof:ChemicalSaltGroupingClass .
chemrof:MoleculePairwiseSimilarity a rdfs:Class ;
rdfs:label "molecule pairwise similarity" ;
rdfs:seeAlso ;
rdfs:subClassOf chemrof:ChemicalSimilarity .
chemrof:FullySpecifiedAtom a rdfs:Class ;
rdfs:label "fully specified atom" ;
rdfs:comment "An atom type that has atomic number, charge, and neutron number stated (equivalently: protons + mass + charge)" ;
rdfs:subClassOf chemrof:Atom .
chemrof:MonomericPolymericGroupingClass a rdfs:Class ;
rdfs:label "monomeric polymeric grouping class" ;
rdfs:subClassOf chemrof:GeneralizedMolecularStructureClass .
chemrof:AcidAnionGroupingClass a rdfs:Class ;
rdfs:label "acid anion grouping class" ;
rdfs:comment "A molecule grouping class that groups the different ion forms of the base of an acid" ;
rdfs:subClassOf chemrof:GroupingClassForAcidsOrBases .
chemrof:Ester a rdfs:Class ;
rdfs:label "ester" ;
rdfs:comment "An ester is a chemical compound derived from an acid (organic or inorganic) in which at least one –OH hydroxyl group is replaced by an –O– alkyl (alkoxy) group" ;
rdfs:subClassOf chemrof:Molecule .
chemrof:MoleculeGroupingClassDefinedByComponents a rdfs:Class ;
rdfs:label "molecule grouping class defined by components" ;
rdfs:comment "A grouping class defined as an exhaustive list of components" ;
rdfs:subClassOf chemrof:MoleculeGroupingClass .
chemrof:has_part a rdf:Property ;
rdfs:label "has part" ;
rdfs:comment "basic parthood relations" ;
rdfs:range chemrof:ChemicalEntityOrGrouping ;
rdfs:subPropertyOf chemrof:chemical_to_chemical_relationship .
chemrof:Connectivity a rdfs:Class ;
rdfs:label "connectivity" ;
rdfs:comment "Abstract grouping for slots that related chemical entities via a connectivity relationships" .
chemrof:AtomGroupingByPeriodicTablePlacement a rdfs:Class ;
rdfs:label "atom grouping by periodic table placement" ;
rdfs:subClassOf chemrof:AtomGroupingClass .
chemrof:ChemicalSaltByCation a rdfs:Class ;
rdfs:label "chemical salt by cation" ;
rdfs:comment "A grouping class for a chemical salt named by cation" ;
rdfs:subClassOf chemrof:ChemicalSaltGroupingClass .
chemrof:Allotrope a rdfs:Class ;
rdfs:label "allotrope" ;
rdfs:comment "A molecule consisting of atoms of the same element" ;
rdfs:subClassOf chemrof:Molecule .
chemrof:SubatomicParticleOccurrence a rdfs:Class ;
rdfs:label "subatomic particle occurrence" ;
rdfs:subClassOf chemrof:ChemicalRelationship , .
chemrof:count a rdf:Property ;
rdfs:range xsd:integer .
chemrof:ChemicalGroup a rdfs:Class ;
rdfs:label "chemical group" ;
rdfs:subClassOf chemrof:MolecularComponent .
chemrof:NeutralMolecule a rdfs:Class ;
rdfs:label "neutral molecule" ;
rdfs:comment "A molecule that has no net charge and is not a zwitterion" ;
rdfs:subClassOf chemrof:NetUnchargedMolecule .
chemrof:PreciseChemicalMixture a rdfs:Class ;
rdfs:label "precise chemical mixture" ;
rdfs:comment "A polyatomic entity that consists of two or more parts that are weakly bound, and of known stoichiometry" ;
rdfs:subClassOf chemrof:ChemicalMixture , chemrof:WeaklyBonded .
chemrof:State a rdfs:Class ;
rdfs:label "state" .
chemrof:AminoAcidSequenceInterval a rdfs:Class ;
rdfs:label "amino acid sequence interval" ;
rdfs:subClassOf chemrof:SequenceInterval .
chemrof:Monomer a rdfs:Class ;
rdfs:label "monomer" ;
rdfs:subClassOf chemrof:PolymerPart .
chemrof:Charged a rdfs:Class ;
rdfs:label "charged" ;
rdfs:comment "Applies to entities that are charged, either positive or negative" ;
rdfs:subClassOf chemrof:ChargeState .
chemrof:Peptide a rdfs:Class ;
rdfs:label "peptide" ;
rdfs:subClassOf chemrof:Macromolecule .
chemrof:MonoatomicIon a rdfs:Class ;
rdfs:label "monoatomic ion" ;
rdfs:comment "An atom type that has a charge" ;
rdfs:subClassOf chemrof:AtomIonicForm , chemrof:Charged .
chemrof:ReactionGroupingClass a rdfs:Class ;
rdfs:label "reaction grouping class" ;
rdfs:comment "A grouping class for reactions, for example, dehalogenase; breaking of covalent bond" ;
rdfs:subClassOf chemrof:GroupingClass .
chemrof:CationState a rdfs:Class ;
rdfs:label "cation state" ;
rdfs:comment "This mixin is applied on an entity (atom or molecule) that is positively charged" ;
rdfs:subClassOf chemrof:Charged .
chemrof:ChiralityCenter a rdfs:Class ;
rdfs:label "chirality center" ;
rdfs:comment "a stereocenter consisting of an atom holding a set of ligands (atoms or groups of atoms) in a spatial arrangement which is not superimposable on its mirror image. " ;
rdfs:subClassOf chemrof:Stereocenter .
chemrof:ChemicalRelationship a rdfs:Class ;
rdfs:label "chemical relationship" ;
rdfs:comment "A reified relationship" ;
rdfs:subClassOf .
chemrof:ReactionParticipant a rdfs:Class ;
rdfs:label "reaction participant" ;
rdfs:comment "Instances of this link a reaction to a chemical entity participant" ;
rdfs:subClassOf chemrof:ChemicalRelationship .
chemrof:AtomIonicForm a rdfs:Class ;
rdfs:label "atom ionic form" ;
rdfs:comment "an atom type in which only charge state is specified, designated by the element followed by charge" ;
rdfs:subClassOf chemrof:PartiallySpecifiedAtom .
chemrof:PolyatomicEntity a rdfs:Class ;
rdfs:label "polyatomic entity" ;
rdfs:comment "Any chemical entity consisting of more than one atom." ;
rdfs:subClassOf chemrof:ChemicalEntity .
chemrof:MolecularAnion a rdfs:Class ;
rdfs:label "molecular anion" ;
rdfs:comment "A polyatomic ion that is negative" ;
rdfs:subClassOf chemrof:PolyatomicIon , chemrof:AnionState .
chemrof:Zwitterion a rdfs:Class ;
rdfs:label "zwitterion" ;
rdfs:comment "A molecule that has both a positive and negative charges but is net neutral" ;
rdfs:subClassOf chemrof:NetUnchargedMolecule .
chemrof:MolecularCation a rdfs:Class ;
rdfs:label "molecular cation" ;
rdfs:comment "A polyatomic ion that is positive" ;
rdfs:subClassOf chemrof:PolyatomicIon , chemrof:CationState .
chemrof:Nanomaterial a rdfs:Class ;
rdfs:label "nanomaterial" ;
rdfs:comment "A material of which a single unit is sized (in at least one dimension) between 1 and 100 nm" ;
rdfs:subClassOf chemrof:Material .
chemrof:MolecularComplex a rdfs:Class ;
rdfs:label "molecular complex" ;
rdfs:comment "A molecular complex is a chemical complex composed of at least one weakly interacting molecule.[SIO] Examples: chromosome, double-standed DNA, protein-containing macromolecular complex" ;
rdfs:subClassOf chemrof:PreciseChemicalMixture .
chemrof:SpecificityMixin a rdfs:Class ;
rdfs:label "specificity mixin" .
chemrof:absolute_configuration a rdf:Property ;
rdfs:label "absolute configuration" ;
rdfs:seeAlso ;
rdfs:range xsd:string .
chemrof:acid_form_of a rdf:Property ;
rdfs:label "acid form of" ;
rdfs:comment "connects an acid to any of the the base anions. E.g. citric acid acid form of citrate(1-),citrate(2-),citrate(3-)" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range chemrof:ChemicalEntity ;
rdfs:subPropertyOf chemrof:conjugate_acid_of .
chemrof:acidity a rdf:Property ;
rdfs:label "acidity" ;
rdfs:range xsd:float .
chemrof:allotropic_analog_of a rdf:Property ;
rdfs:label "allotropic analog of" ;
rdfs:comment "relationship that holds between two allotropes, where both allotropes are allotropes of the same element" ;
rdfs:domain chemrof:Allotrope ;
rdfs:range chemrof:Allotrope ;
rdfs:subPropertyOf chemrof:alternate_form_of .
chemrof:alternate_form_of a rdf:Property ;
rdfs:label "alternate form of" ;
rdfs:comment "A relationship between two entities of the same type" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range chemrof:ChemicalEntity ;
rdfs:subPropertyOf chemrof:chemical_to_chemical_relationship .
chemrof:atomically_connected_to a rdf:Property ;
rdfs:label "atomically connected to" ;
rdfs:domain chemrof:AtomOccurrence ;
rdfs:range chemrof:AtomOccurrence .
chemrof:aze_notation_html a rdf:Property ;
rdfs:label "AZE notation html" ;
rdfs:comment "E.g. 12/6C" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_representation .
chemrof:boiling_point_in_celcius a rdf:Property ;
rdfs:label "boiling point in celcius" ;
rdfs:range xsd:float .
chemrof:canonical_smiles_string a rdf:Property ;
rdfs:label "canonical smiles string" ;
rdfs:comment "A deterministic SMILES string. Note there is no unique system for canonical smiles strings" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:smiles_string .
chemrof:carbbank_representation a rdf:Property ;
rdfs:label "carbbank representation" ;
rdfs:comment "The carbohydrate structure format used by the Complex Carbohydrate Structure Database (CCSD) originally developed at the University of Georgia. This is a 2D structure where bars and hyphens are used to indicate linkages, and monosaccharides are specified in the following order, separated by hyphens: anomer - configuration symbol - monosaccharide abbreviation." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:carboydrate_representation .
chemrof:carboydrate_representation a rdf:Property ;
rdfs:label "carboydrate representation" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_representation .
chemrof:charge a rdf:Property ;
rdfs:range xsd:string .
chemrof:charge_agnostic_entity a rdf:Property ;
rdfs:label "charge agnostic entity" ;
rdfs:range chemrof:ChemicalEntity .
chemrof:chebi_formula a rdf:Property ;
rdfs:comment "A CHEBI formular combines aspects of molecular and generalized molecular formulae, and may also be an atom symbol" ;
rdfs:seeAlso ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:chemical_formula a rdf:Property ;
rdfs:label "chemical formula" ;
rdfs:comment "A generic grouping for molecular formulae and empirical formulae" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_representation .
chemrof:chemical_isomer_of a rdf:Property ;
rdfs:label "chemical isomer of" ;
rdfs:comment "a relationship that holds between two forms of a parent molecule with identical chemical formulas but distinct arrangements of atoms in space" ;
rdfs:seeAlso ;
rdfs:domain chemrof:Molecule ;
rdfs:range chemrof:Molecule ;
rdfs:subPropertyOf chemrof:alternate_form_of .
chemrof:chemical_property a rdf:Property ;
rdfs:label "chemical property" ;
rdfs:range xsd:string .
chemrof:chemical_representation a rdf:Property ;
rdfs:label "chemical representation" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:information_property .
chemrof:chemical_to_chemical_relationship a rdf:Property ;
rdfs:label "chemical to chemical relationship" ;
rdfs:range xsd:string .
chemrof:chirality_agnostic_form a rdf:Property ;
rdfs:label "chirality agnostic form" ;
rdfs:range chemrof:Molecule .
chemrof:classification_relationship a rdf:Property ;
rdfs:label "classification relationship" ;
rdfs:range xsd:string .
chemrof:classified_by a rdf:Property ;
rdfs:label "classified by" ;
rdfs:comment "A subtype_of relationship holds between I and C if I is a specific entity of type C. Here I and C denotes instances of OWL classes, where I is a specific class and C is a grouping class" ;
rdfs:domain ;
rdfs:range ;
rdfs:subPropertyOf chemrof:owl_subclass_of , chemrof:chemical_to_chemical_relationship .
chemrof:classifies a rdf:Property ;
rdfs:label "classifies" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_to_chemical_relationship .
chemrof:composed_of a rdf:Property ;
rdfs:label "composed of" ;
rdfs:range chemrof:ChemicalEntity .
chemrof:curly_smiles_string a rdf:Property ;
rdfs:label "curly smiles string" ;
rdfs:comment "CurlySMILES is a chemical line notation which extends SMILES with annotations for storage, retrieval and modeling of interlinked, coordinated, assembled and adsorbed molecules in supramolecular structures and nanodevices. https://jcheminf.biomedcentral.com/articles/10.1186/1758-2946-3-1" ;
rdfs:seeAlso ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:degree_of_polymerization a rdf:Property ;
rdfs:label "degree of polymerization" ;
rdfs:seeAlso ;
rdfs:range xsd:int .
chemrof:description a rdf:Property ;
rdfs:label "description" ;
rdfs:range xsd:string .
chemrof:diastereoisomers_of a rdf:Property ;
rdfs:label "diastereoisomers of" ;
rdfs:comment "A stereoisomer non-mirror image non-identical stereoisomers" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:stereoisomer_of .
chemrof:direct_conjugatated_form_of a rdf:Property ;
rdfs:label "direct conjugatated form of" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:derivative_of .
chemrof:direction a rdf:Property ;
rdfs:label "direction" ;
rdfs:comment "One of l->r, r->l, bidirectional, neutral" ;
rdfs:range xsd:string .
chemrof:electron_configuration a rdf:Property ;
rdfs:label "electron configuration" ;
rdfs:range xsd:string .
chemrof:enantiomer_form_of a rdf:Property ;
rdfs:label "enantiomer form of" ;
rdfs:comment "Example: R-thalidomide is the enantiomer form of 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione" ;
rdfs:range chemrof:Molecule ;
rdfs:subPropertyOf chemrof:owl_subclass_of .
chemrof:enantiomer_of a rdf:Property ;
rdfs:label "enantiomer of" ;
rdfs:comment "a stereoisomer relationship where the two forms are mirror images of one another" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:stereoisomer_of .
chemrof:epimer_of a rdf:Property ;
rdfs:label "epimer of" ;
rdfs:comment "A diastereoisomer of relationship in which the isomers differ at only one stereocenter" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:diastereoisomers_of .
chemrof:extended_smiles_string a rdf:Property ;
rdfs:label "extended smiles string" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:smiles_string .
chemrof:functional_isomer_of a rdf:Property ;
rdfs:label "functional isomer of" ;
rdfs:comment "structural isomers that have the same molecular formula (that is, the same number of atoms of the same elements), but the atoms are connected in different ways so that the groupings are dissimilar." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:structural_isomer_of .
chemrof:generalized_empirical_formula a rdf:Property ;
rdfs:label "generalized empirical formula" ;
rdfs:comment "A variant of an empirical formula where numbers are replaced by generic ns; e.g. CnH2n+2 for alkane" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:glycoct_condensed a rdf:Property ;
rdfs:label "glycoct condensed" ;
rdfs:comment "This is a multiline format used by GlycomeDB, among others, and uses a graph notation to represent glycans, similar to KCF. Monosaccharides are specified more strictly to be able to map the monosaccharides between different representations. Substituents, such as N-acetyl, are specified as separate nodes from their basetypes and are linked together in the edge section. If newlines are removed, this format can be made linear." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:carboydrate_representation .
chemrof:glycominds_linearcode_representation a rdf:Property ;
rdfs:label "glycominds linearcode representation" ;
rdfs:comment "A linear notation proposed by GlycoMinds, Ltd., where monosaccharides are indicated by a one- or two-letter code, linkages are indicated by “a” or “b” for anomers and a single number for the carbon number linkage on the reducing end, and branches are indicated by parentheses. This format is the most compact among existing formats, and several databases use a modified form of this format to accommodate additional codes and varying carbohydrate structures (such as ambiguous structures)." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:carboydrate_representation .
chemrof:hard_or_soft a rdf:Property ;
rdfs:label "hard or soft" ;
rdfs:range chemrof:HardOrSoftEnum .
chemrof:has_acid_form a rdf:Property ;
rdfs:label "has acid form" ;
rdfs:comment "connects a base to the acid form. E.g. citrate(3-) has acid form citric acid" ;
rdfs:domain chemrof:MoleculeByChargeState ;
rdfs:range chemrof:MoleculeByChargeState ;
rdfs:subPropertyOf chemrof:conjugate_base_of .
chemrof:has_bonding_structure a rdf:Property ;
rdfs:label "has bonding structure" ;
rdfs:comment "The pattern in which the atoms are bonded; e.g. hexagonal lattice, sheets, etc" ;
rdfs:range xsd:string .
chemrof:has_charge_state a rdf:Property ;
rdfs:label "has charge state" ;
rdfs:range xsd:anyURI .
chemrof:has_cyclic_structure a rdf:Property ;
rdfs:label "has cyclic structure" ;
rdfs:comment "true if the molecule possesses a cycle in the atom connectivity graph" ;
rdfs:domain chemrof:Molecule ;
rdfs:range xsd:boolean ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:has_derivative a rdf:Property ;
rdfs:label "has derivative" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:alternate_form_of .
chemrof:has_different_charge_state_from a rdf:Property ;
rdfs:label "has different charge state from" ;
rdfs:range xsd:string .
chemrof:has_group a rdf:Property ;
rdfs:label "has group" ;
rdfs:comment "Relation between a molecule and the groups it contains" ;
rdfs:domain chemrof:Atom ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:has_submolecules .
chemrof:has_higher_charge_from a rdf:Property ;
rdfs:label "has higher charge from" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:has_different_charge_state_from .
chemrof:has_ionic_component a rdf:Property ;
rdfs:label "has ionic component" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:has_part .
chemrof:has_left_enantiomer a rdf:Property ;
rdfs:label "has left enantiomer" ;
rdfs:range chemrof:Enantiomer .
chemrof:has_lower_charge_from a rdf:Property ;
rdfs:label "has lower charge from" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:has_different_charge_state_from .
chemrof:has_molfile_location a rdf:Property ;
rdfs:label "has molfile location" ;
rdfs:comment "Location of a MolFile representing a chemical structure" ;
rdfs:range xsd:anyURI ;
rdfs:subPropertyOf chemrof:information_property .
chemrof:has_morphological_category a rdf:Property ;
rdfs:label "has morphological category" ;
rdfs:comment "e.g. rod, sheet" ;
rdfs:range chemrof:NanostructureMorphologyEnum .
chemrof:has_parent_acid a rdf:Property ;
rdfs:label "has parent acid" ;
rdfs:range chemrof:MoleculeByChargeState .
chemrof:has_parent_alcohol a rdf:Property ;
rdfs:label "has parent alcohol" ;
rdfs:range chemrof:ChemicalEntity .
chemrof:has_physiologically_stable_form a rdf:Property ;
rdfs:label "has physiologically stable form (Deprecated)" ;
rdfs:comment "Different term for the concept of a major microspecies at pH 7.3." ;
rdfs:seeAlso chemrof:has_major_microspecies_at_pH7_3 ;
rdfs:range xsd:string .
chemrof:has_polymer_repeat_units a rdf:Property ;
rdfs:label "has polymer repeat units" ;
rdfs:comment "Relation between a polymer and all instances of a repeated polymeric unit" ;
rdfs:range chemrof:PolymerRepeatUnit .
chemrof:has_rauxinfo_representation a rdf:Property ;
rdfs:label "has rauxinfo representation" ;
rdfs:comment "Auxhiliary information on top of a RInChi" ;
rdfs:seeAlso ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_representation .
chemrof:has_reaction_representation a rdf:Property ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_representation .
chemrof:has_reaction_smarts_representation a rdf:Property ;
rdfs:label "has reaction SMARTS representation" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:has_reaction_representation .
chemrof:has_right_enantiomer a rdf:Property ;
rdfs:label "has right enantiomer" ;
rdfs:range chemrof:Enantiomer .
chemrof:has_role a rdf:Property ;
rdfs:label "has role" ;
rdfs:range chemrof:IngredientRoleEnum .
chemrof:has_smirks_representation a rdf:Property ;
rdfs:label "has reaction SMILES representation" ;
rdfs:comment "A reaction transform language that is a superset of reaction SMILES and a subset of reaction SMARTS" ;
rdfs:seeAlso ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:has_reaction_representation .
chemrof:has_stereocenter a rdf:Property ;
rdfs:label "has stereocenter" ;
rdfs:range chemrof:Stereocenter .
chemrof:has_subtype a rdf:Property ;
rdfs:label "has subtype" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_to_chemical_relationship .
chemrof:hashed_chemical_formula a rdf:Property ;
rdfs:label "hashed chemical formula" ;
rdfs:comment "A hashed version of a chemical formula" ;
rdfs:domain chemrof:ChemicalEntity ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_representation .
chemrof:inchi_2_d_key_string a rdf:Property ;
rdfs:label "inchi2d key string" ;
rdfs:comment "A hashed representation of an InChi2D string" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:hashed_chemical_formula .
chemrof:inchi_2_d_string a rdf:Property ;
rdfs:label "InChi2D" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:inchi_component a rdf:Property ;
rdfs:label "inchi component" ;
rdfs:comment "A part of an InChI object" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:information_property .
chemrof:inchi_fixed_h_layer a rdf:Property ;
rdfs:label "inchi fixed H layer" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer .
chemrof:inchi_key_string a rdf:Property ;
rdfs:label "inchi key string" ;
rdfs:comment "A hashed representation of an InChi string" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:hashed_chemical_formula .
chemrof:inchi_reconnected_layer a rdf:Property ;
rdfs:label "inchi reconnected layer" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer .
chemrof:inchi_sublayer a rdf:Property ;
rdfs:label "inchi sublayer" ;
rdfs:seeAlso ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_component .
chemrof:inchi_sublayer_in_main_layer a rdf:Property ;
rdfs:label "inchi sublayer in main layer" ;
rdfs:comment "The main layer consists of chemical formula, atom connections, and hydrogen atoms. Example: CH3O/c1-2/h1H3/q-1" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:inchi_sublayer .
chemrof:information_property a rdf:Property ;
rdfs:label "information property" ;
rdfs:range xsd:string .
chemrof:is_balanced a rdf:Property ;
rdfs:label "is balanced" ;
rdfs:range xsd:boolean .
chemrof:is_diastereoselective a rdf:Property ;
rdfs:label "is diastereoselective" ;
rdfs:range xsd:boolean .
chemrof:is_fully_characterized a rdf:Property ;
rdfs:label "is fully characterized" ;
rdfs:comment "False if includes R-groups" ;
rdfs:range xsd:boolean .
chemrof:is_stereo a rdf:Property ;
rdfs:label "is stereo" ;
rdfs:range xsd:boolean .
chemrof:is_substitutent_group_from a rdf:Property ;
rdfs:label "is substitutent group from" ;
rdfs:range chemrof:Molecule .
chemrof:is_transport a rdf:Property ;
rdfs:label "is transport" ;
rdfs:range xsd:boolean .
chemrof:isomeric_smiles_string a rdf:Property ;
rdfs:label "isomeric smiles string" ;
rdfs:comment "A SMILES string that distinguishes between isomeric forms. E.g. [13C] for carbon-13" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:smiles_string .
chemrof:isotone_of a rdf:Property ;
rdfs:label "isotone of" ;
rdfs:comment "relationship that holds between two isotones, always holds if the isotones have a different atomic number and the same neutron number." ;
rdfs:domain chemrof:Isotope ;
rdfs:range chemrof:Isotope ;
rdfs:subPropertyOf chemrof:alternate_form_of .
chemrof:isotopologue_of a rdf:Property ;
rdfs:label "isotopologue of" ;
rdfs:comment "a relationship that holds between two forms of a parent molecule with identical chemical formulas but are differentiated by the number of neutrons in at least one atom" ;
rdfs:seeAlso , , ;
rdfs:domain chemrof:Molecule ;
rdfs:range chemrof:Molecule ;
rdfs:subPropertyOf chemrof:alternate_form_of .
chemrof:isotopomer_of a rdf:Property ;
rdfs:comment "isomers which differ by isotopic substitution, and which have the same number of atoms of each isotope but in a different arrangement." ;
rdfs:seeAlso ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_isomer_of .
chemrof:kcat a rdf:Property ;
rdfs:comment "The maximum number of substrate molecules converted to product per enzyme molecule per unit time, when the enzyme is saturated with substrate. It represents the maximum catalytic efficiency of an enzyme under ideal conditions." ;
rdfs:range xsd:string .
chemrof:kegg_chemical_function_representation a rdf:Property ;
rdfs:label "kegg chemical function representation" ;
rdfs:comment "A multiline format used by the KEGG GLYCAN database and represents glycans as graphs. Monosaccharides are represented as nodes, and glycosidic linkages are represented as edges. Each node is given a unique number, and x- and y- coordinates are specified such that the glycan structure can be drawn on a 2D plane. Edge information uses the node numbers to specify anomeric and carbon number information. Monosaccharide names are specified as text, and no particular rules are specified to represent these names." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:carboydrate_representation .
chemrof:left_molecule a rdf:Property ;
rdfs:label "left molecule" ;
rdfs:range chemrof:Molecule .
chemrof:left_participants a rdf:Property ;
rdfs:label "left participants" ;
rdfs:range chemrof:ReactionParticipant .
chemrof:linucs_representation a rdf:Property ;
rdfs:label "linucs representation" ;
rdfs:comment "A unique linear notation proposed and used by GLYCOSCIENCES.de, with the reducing end specified on the left. Monosaccharides, written according to CarbBank rules, are surrounded by square brackets and anomers, and stereochemistry is specified and separated by hyphens. Glycosidic linkages are also surrounded by hyphens, and carbon numbers of the linkages are separated by the plus sign. Branches are indicated by curly brackets." ;
rdfs:seeAlso ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:carboydrate_representation .
chemrof:log_p_6_partition_coefficient a rdf:Property ;
rdfs:label "logP6_partition_coefficient" ;
rdfs:comment "logP partition coefficient calculated from 2D structure using contributions from pre-defined structure fragments. It corresponds to: log(Poctanol/Pwater) = log(SoluteInOctanol/SoluteInWater)" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:long_rinchi_key_string a rdf:Property ;
rdfs:label "long rinchi key string" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:rinchi_key_string .
chemrof:lychi_string a rdf:Property ;
rdfs:label "lychi string" ;
rdfs:seeAlso ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:major_microspecies_at_p_h_7_3_of a rdf:Property ;
rdfs:comment "The subject of this link is the most common protonation state for this chemical at a pH of 7.3. The link may point to it's source." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:acid_form_of .
chemrof:mass a rdf:Property ;
rdfs:label "mass" ;
rdfs:range xsd:float .
chemrof:maximum_percentage a rdf:Property ;
rdfs:label "maximum percentage" ;
rdfs:range xsd:float .
chemrof:melting_point_in_celcius a rdf:Property ;
rdfs:label "melting point in celcius" ;
rdfs:range xsd:float .
chemrof:michaelis_constant a rdf:Property ;
rdfs:comment "the substrate concentration at which the reaction rate is half of its maximum value (Vmax)" ;
rdfs:range xsd:string .
chemrof:minimal_percentage a rdf:Property ;
rdfs:label "minimal percentage" ;
rdfs:range xsd:float .
chemrof:molar_cohesive_energy a rdf:Property ;
rdfs:label "molar cohesive energy" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:thermophysical_property .
chemrof:molar_refractivity a rdf:Property ;
rdfs:label "molar refractivity" ;
rdfs:comment "Molar refractivity calculated from 2D structure using contributions from pre-defined structure fragments." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:molar_value a rdf:Property ;
rdfs:label "molar value" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:thermophysical_property .
chemrof:molecular_charge a rdf:Property ;
rdfs:label "molecular charge" ;
rdfs:comment "The electric charge of a molecule, typically expressed as multiples of the elementary charge." ;
rdfs:range xsd:integer ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:molecular_electronic_absorption_spectroscopy a rdf:Property ;
rdfs:label "molecular electronic absorption spectroscopy" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:molecular_electronic_spectroscopy a rdf:Property ;
rdfs:label "molecular electronic spectroscopy" ;
rdfs:comment "A molecular property describing absorption or emission of electromagnetic radiation due to electronic transitions." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:molecular_formula a rdf:Property ;
rdfs:label "molecular formula" ;
rdfs:comment "A chemical formula where numbers denote atom count. E.g. C6H12O6 for glucose" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:molecular_heat_capacity a rdf:Property ;
rdfs:label "molecular heat capacity" ;
rdfs:comment "The amount of heat required to raise the temperature of one mole of a molecule by one Kelvin." ;
rdfs:range xsd:float ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:molecular_hydration a rdf:Property ;
rdfs:label "molecular hydration" ;
rdfs:comment "The number of water molecules associated with or bound to a molecule." ;
rdfs:range xsd:integer ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:molecular_property a rdf:Property ;
rdfs:label "molecular property" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:molecular_replacement a rdf:Property ;
rdfs:label "molecular replacement" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:molecular_shape a rdf:Property ;
rdfs:label "molecular shape" ;
rdfs:comment "The geometric configuration or three-dimensional arrangement of atoms within a molecule." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:molecular_size a rdf:Property ;
rdfs:label "molecular size" ;
rdfs:comment "A property reflecting the spatial dimensions or volume occupied by a molecule." ;
rdfs:range xsd:float ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:molecular_spectroscopy a rdf:Property ;
rdfs:label "molecular spectroscopy" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:molecular_spectroscopy_by_energy_state a rdf:Property ;
rdfs:label "molecular spectroscopy by energy state" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:molecular_structure a rdf:Property ;
rdfs:label "molecular structure" ;
rdfs:comment "The specific arrangement of atoms in a molecule, usually represented by chemical notation or structural formulas." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:molecular_property .
chemrof:monoisotopic_mass a rdf:Property ;
rdfs:label "monoisotopic mass" ;
rdfs:range xsd:float .
chemrof:next_in_homologous_series_from a rdf:Property ;
rdfs:label "next in homologous series from" ;
rdfs:comment "Next in a sequence of compounds with the same functional group and similar chemical properties in which the members of the series can be branched or unbranched. E.g. ethane (C2H6) next in homologous series from methane (CH4)" ;
rdfs:seeAlso ;
rdfs:domain chemrof:Molecule ;
rdfs:range chemrof:Molecule .
chemrof:nuclear_isomer_of a rdf:Property ;
rdfs:label "nuclear isomer of" ;
rdfs:comment "relationship that holds between two nuclear isomers, always holds if the isomers have the same nucleon number but different energy states" ;
rdfs:domain chemrof:Isotope ;
rdfs:range chemrof:Isotope ;
rdfs:subPropertyOf chemrof:alternate_form_of .
chemrof:number_of_aromatic_rings a rdf:Property ;
rdfs:label "number of aromatic rings" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:number_of_heavy_atoms a rdf:Property ;
rdfs:label "Heavy Atoms" ;
rdfs:comment "number of of non-hydrogen atoms" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:number_of_hydrogen_bond_acceptors a rdf:Property ;
rdfs:label "number of hydrogen bond acceptors" ;
rdfs:comment "number of hydrogen bond acceptors corresponding to sum of nitrogen atoms without any any implicit/explicit hydrogen atom and all oxygen atoms" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:number_of_hydrogen_bond_donors a rdf:Property ;
rdfs:label "number of hydrogen bond donors" ;
rdfs:comment "number of hydrogen bond donors corresponding to sum of nitrogen and oxygen atoms with at least one implicit/explicit hydrogen atom" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:number_of_rings a rdf:Property ;
rdfs:label "number of rings" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:number_of_rotatable_bonds a rdf:Property ;
rdfs:label "number of rotatable bonds" ;
rdfs:comment "number of rotatable bonds corresponds to single bonds excluding following types of single bonds terminal bonds; attached to triple bonds; amide, thioamide and sulfonamide bonds." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:object_atom_occurrence a rdf:Property ;
rdfs:label "object atom occurrence" ;
rdfs:range chemrof:AtomOccurrence .
chemrof:optical_configuration a rdf:Property ;
rdfs:label "optical configuration" ;
rdfs:range xsd:string .
chemrof:participant a rdf:Property ;
rdfs:label "participant" ;
rdfs:range chemrof:ChemicalEntity .
chemrof:position_isomer_of a rdf:Property ;
rdfs:label "position isomer of" ;
rdfs:comment "a functional group or other substituent changes position on a parent structure." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:structural_isomer_of .
chemrof:property_of_atom a rdf:Property ;
rdfs:label "property of atom" ;
rdfs:domain chemrof:Atom ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:reaction_center a rdf:Property ;
rdfs:label "reaction center" ;
rdfs:range xsd:string .
chemrof:reaction_has_bidirectional_form a rdf:Property ;
rdfs:label "reaction has bidirectional form" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:variant_reaction_of .
chemrof:relative_configuration a rdf:Property ;
rdfs:label "relative configuration" ;
rdfs:range xsd:string .
chemrof:repetition_of a rdf:Property ;
rdfs:label "repetition of" ;
rdfs:comment "the macromolecule that is repeated" ;
rdfs:range chemrof:Molecule .
chemrof:right_molecule a rdf:Property ;
rdfs:label "right molecule" ;
rdfs:range chemrof:Molecule .
chemrof:right_participants a rdf:Property ;
rdfs:label "right participants" ;
rdfs:range chemrof:ReactionParticipant .
chemrof:rinchi_key_string a rdf:Property ;
rdfs:label "rinchi key string" ;
rdfs:comment "A hashed representation of a RInChi string" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:hashed_chemical_formula .
chemrof:score a rdf:Property ;
rdfs:label "score" ;
rdfs:range xsd:float .
chemrof:selfies_string a rdf:Property ;
rdfs:label "selfies string" ;
rdfs:seeAlso ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:short_rinchi_key_string a rdf:Property ;
rdfs:label "short rinchi key string" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:rinchi_key_string .
chemrof:skeletal_isomer_of a rdf:Property ;
rdfs:label "skeletal isomer of" ;
rdfs:comment "components of the (usually carbon) skeleton are distinctly re-ordered to create different structures. Pentane exists as three isomers: n-pentane (often called simply \"pentane\"), isopentane (2-methylbutane) and neopentane (dimethylpropane)." ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:structural_isomer_of .
chemrof:standard_atomic_weight a rdf:Property ;
rdfs:label "standard atomic weight" ;
rdfs:range xsd:float .
chemrof:stereoisomer_of a rdf:Property ;
rdfs:label "stereoisomer of" ;
rdfs:comment "a relationship that holds between two forms of the 'same' molecule with identical chemical formulas but different bonds" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_isomer_of .
chemrof:stoichiometry a rdf:Property ;
rdfs:label "stoichiometry" ;
rdfs:range xsd:integer .
chemrof:structural_isomer_of a rdf:Property ;
rdfs:label "structural isomer of" ;
rdfs:comment "a relationship that holds between two forms of the 'same' molecule with identical chemical formulas but different bonding patterns" ;
rdfs:seeAlso , ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_isomer_of .
chemrof:subatomic_particle_count a rdf:Property ;
rdfs:label "subatomic particle count" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:property_of_atom .
chemrof:subject_atom_occurrence a rdf:Property ;
rdfs:label "subject atom occurrence" ;
rdfs:range chemrof:AtomOccurrence .
chemrof:tautomer_of a rdf:Property ;
rdfs:label "tautomer of" ;
rdfs:comment "structural isomers (constitutional isomers) of chemical compounds that readily interconvert. Examples: a neutral amino acid and its zwitterion" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:structural_isomer_of .
chemrof:thermophysical_property a rdf:Property ;
rdfs:label "thermophysical property" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:topological_polar_surface_area a rdf:Property ;
rdfs:label "topological polar surface area" ;
rdfs:comment "Topological Polar Surface Area corresponding to nitrogen and oxygen atoms calculated from 2D structure using contributions from pre-defined structure fragments containing these atoms" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:transitive_conjugatated_form_of a rdf:Property ;
rdfs:label "transitive conjugatated form of" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:derivative_of .
chemrof:tucan_string a rdf:Property ;
rdfs:label "tucan string" ;
rdfs:seeAlso ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_formula .
chemrof:van_der_waals_molecular_volume a rdf:Property ;
rdfs:label "van der waals molecular volume" ;
rdfs:comment "van der Waals molecular volume calculated from 2D structure using atomic radii with adjustments for number of bonds, aromatic and non-aromatic rings" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:chemical_property .
chemrof:variant_reaction_of a rdf:Property ;
rdfs:label "variant reaction of" ;
rdfs:domain chemrof:Reaction ;
rdfs:range chemrof:Reaction .
chemrof:wurcs_representation a rdf:Property ;
rdfs:label "wurcs representation" ;
rdfs:range xsd:string ;
rdfs:subPropertyOf chemrof:carboydrate_representation .
chemrof:PeriodicTableBlockEnum a rdfs:Class ;
rdfs:label "periodic_table_block_enum" .
a chemrof:PeriodicTableBlockEnum .
a chemrof:PeriodicTableBlockEnum .
chemrof:PeriodicTableBlockEnum.G_BLOCK a chemrof:PeriodicTableBlockEnum ;
rdfs:comment "The g-block is a hypothetical region in the periodic table of the elements." .
a chemrof:PeriodicTableBlockEnum .
a chemrof:PeriodicTableBlockEnum .
chemrof:BondTypeEnum a rdfs:Class ;
rdfs:label "bond_type_enum" .
a chemrof:BondTypeEnum .
a chemrof:BondTypeEnum ;
rdfs:comment "A covalent bond is a chemical bond that involves the sharing of pairs of electrons between atoms. This sharing results in a stable balance of attractive and repulsive forces between those atoms." .
a chemrof:BondTypeEnum .
a chemrof:BondTypeEnum .
chemrof:BondTypeEnum.IONIC a chemrof:BondTypeEnum .
chemrof:BondTypeEnum.METAL_METAL a chemrof:BondTypeEnum .
chemrof:BondTypeEnum.POLAR_COVALENT a chemrof:BondTypeEnum .
chemrof:BondTypeEnum.POLYCENTRIC a chemrof:BondTypeEnum .
a chemrof:BondTypeEnum .
chemrof:BondTypeEnum.SALT_BRIDGE a chemrof:BondTypeEnum .
chemrof:BondTypeEnum.SIGMA a chemrof:BondTypeEnum .
a chemrof:BondTypeEnum .
a chemrof:BondTypeEnum .
chemrof:ElementMetallicClassification a rdfs:Class ;
rdfs:label "element_metallic_classification" .
a chemrof:ElementMetallicClassification .
a chemrof:ElementMetallicClassification .
a chemrof:ElementMetallicClassification .
chemrof:ClassificationLevelEnum a rdfs:Class ;
rdfs:label "classification_level_enum" .
chemrof:ClassificationLevelEnum.CATEGORY a chemrof:ClassificationLevelEnum .
chemrof:ClassificationLevelEnum.CLASS a chemrof:ClassificationLevelEnum .
chemrof:ClassificationLevelEnum.ISOMERIC_SUBSPECIES a chemrof:ClassificationLevelEnum .
chemrof:ClassificationLevelEnum.MOLECULAR_SUBSPECIES a chemrof:ClassificationLevelEnum .
chemrof:ClassificationLevelEnum.SPECIES a chemrof:ClassificationLevelEnum .
chemrof:ClassificationLevelEnum.STRUCTURAL_SUBSPECIES a chemrof:ClassificationLevelEnum .
chemrof:ClassificationLevelEnum.SUBSPECIES a chemrof:ClassificationLevelEnum .
chemrof:ClassificationLevelEnum.UNCATEGORIZED a chemrof:ClassificationLevelEnum .
chemrof:BronstedAcidBaseRoleEnum a rdfs:Class ;
rdfs:label "bronsted_acid_base_role_enum" .
chemrof:BronstedAcidBaseRoleEnum.ACID a chemrof:BronstedAcidBaseRoleEnum ;
rdfs:comment "CHEBI:39141" .
chemrof:BronstedAcidBaseRoleEnum.BASE a chemrof:BronstedAcidBaseRoleEnum ;
rdfs:comment "CHEBI:39142" .
chemrof:MoleculeClassificationEnum a rdfs:Class .
a chemrof:MoleculeClassificationEnum .
a chemrof:MoleculeClassificationEnum .
chemrof:NanostructureMorphologyEnum a rdfs:Class ;
rdfs:label "nanostructure_morphology_enum" .
a chemrof:NanostructureMorphologyEnum .
a chemrof:NanostructureMorphologyEnum .
a chemrof:NanostructureMorphologyEnum .
a chemrof:NanostructureMorphologyEnum .
a chemrof:NanostructureMorphologyEnum .
a chemrof:NanostructureMorphologyEnum .
a chemrof:NanostructureMorphologyEnum .
a chemrof:NanostructureMorphologyEnum .
a chemrof:NanostructureMorphologyEnum .
a chemrof:NanostructureMorphologyEnum .
chemrof:ElementFamilyEnum a rdfs:Class ;
rdfs:label "element_family_enum" .
chemrof:ElementFamilyEnum.ALKALI_EARTH a chemrof:ElementFamilyEnum .
chemrof:ElementFamilyEnum.ALKALINE_EARTH a chemrof:ElementFamilyEnum .
chemrof:ElementFamilyEnum.HALOGEN a chemrof:ElementFamilyEnum .
chemrof:ElementFamilyEnum.METALLOIDS a chemrof:ElementFamilyEnum .
chemrof:ElementFamilyEnum.NOBLEGAS a chemrof:ElementFamilyEnum .
chemrof:ElementFamilyEnum.NON_METAL a chemrof:ElementFamilyEnum .
chemrof:ElementFamilyEnum.OTHER_METAL a chemrof:ElementFamilyEnum .
chemrof:ElementFamilyEnum.RARE_EARTH a chemrof:ElementFamilyEnum .
chemrof:ElementFamilyEnum.TRANSITION a chemrof:ElementFamilyEnum .
chemrof:HardOrSoftEnum a rdfs:Class ;
rdfs:label "hard_or_soft_enum" .
chemrof:HardOrSoftEnum.BORDERLINE a chemrof:HardOrSoftEnum .
chemrof:HardOrSoftEnum.HARD a chemrof:HardOrSoftEnum .
chemrof:HardOrSoftEnum.SOFT a chemrof:HardOrSoftEnum .
chemrof:SubatomicParticleEnum a rdfs:Class ;
rdfs:label "subatomic_particle_enum" .
a chemrof:SubatomicParticleEnum .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A boson that is its own antiparticle, has no spin, zero electric charge and zero colour charge." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A particle smaller than an atom." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Nucleus of the (4)He atom." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Elementary particle not affected by the strong force having a spin 1/2, a positive elementary charge and a rest mass of 0.113428913(17) u, or 105.658389(34) MeV." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy)." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Particle of integer spin quantum number following Bose-Einstein statistics. Bosons are named after Satyendra Nath Bose." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A third-generation quark with a charge of -1/3." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A second-generation quark with a charge of +2/3." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A subatomic particle known to have substructure (i.e. consisting of smaller particles)." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Nucleus of the (2)H atom." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A first-generation quark with a charge of -1/3. The up and down quarks are the fundamental constituents of the nucleons." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV." .
a chemrof:SubatomicParticleEnum .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A particle not known to have substructure." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Hadron is a subatomic particle which experiences the strong force." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Nucleus of the (3)He atom." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "The general name for the hydrogen nucleus, to be used without regard to the hydrogen nuclear mass (either for hydrogen in its natural abundance or where it is not desired to distinguish between the isotopes)." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A baryon which contain one or more strange quarks. Hyperons are short-lived and heavier than nucleons." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin)." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A hadron with zero or integer spin; a strongly interacting boson. The term is derived from the Greek muepsilonsigmaomicronsigma (medium, middle)." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.113428913(17) u, or 105.658389(34) MeV." .
a chemrof:SubatomicParticleEnum .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "An elementary particle of spin 1/2, zero electric charge and negligible rest mass. Three known types (flavors) of neutrino are electron neutrino, muon neutrino and tau neutrino, named after their charged partner leptons." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Nuclear particle of zero charge, spin 1/2 and rest mass of 1.008664904(14) u." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A nucleus or any of its constituents in any of their energy states." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Heavy nuclear particle: proton or neutron." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Particle of zero charge, zero rest mass, spin quantum number 1, energy hnu and momentum hnu/c (h is the Planck constant, nu the frequency of radiation and c the speed of light), carrier of electromagnetic force." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "The collective name for zero-spin mesons pi(+), pi(-) and pi(0)." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A subatomic particle of charge number -1, zero spin and rest mass of 0.1498323(8) u, or 139.5679(7) MeV." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A subatomic particle of charge number +1, zero spin and rest mass of 0.1498323(8) u, or 139.5679(7) MeV." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A subatomic particle of zero charge, zero spin and rest mass of 0.1449008(9) u, or 134.9743(8) MeV." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Elementary particle not affected by the strong force having a spin 1/2, a positive elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Nuclear particle of charge number +1, spin 1/2 and rest mass of 1.007276470(12) u." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Quarks comprise one of two classes of the fundamental particles. Quarks possess fractional electric charges and are not observed in free state." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A second-generation quark with a charge of -1/3 and a strangeness of -1." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 1777.05 MeV." .
a chemrof:SubatomicParticleEnum .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A third-generation quark with a charge of +2/3." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "Nucleus of the (3)H atom." .
a chemrof:SubatomicParticleEnum ;
rdfs:comment "A first-generation quark with a charge of +2/3. The up and down quarks are the fundamental constituents of the nucleons." .
chemrof:IngredientRoleEnum a rdfs:Class ;
rdfs:label "ingredient_role_enum" .
chemrof:IngredientRoleEnum.ACTIVE_INGREDIENT a chemrof:IngredientRoleEnum .
chemrof:IngredientRoleEnum.EXCIPIENT a chemrof:IngredientRoleEnum .
chemrof:IngredientRoleEnum.INACTIVE_INGREDIENT a chemrof:IngredientRoleEnum .
chemrof:IngredientRoleEnum.SOLVENT a chemrof:IngredientRoleEnum .