Class: ChemicalSubstance

May be a chemical entity or a formulation with a chemical entity as active ingredient, or a complex material with multiple chemical entities as part

URI: biolink:ChemicalSubstance

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Identifier prefixes

• PUBCHEM.COMPOUND
• CHEMBL.COMPOUND
• UNII
• CHEBI
• DRUGBANK
• MESH
• CAS
• DrugCentral
• GTOPDB
• HMDB
• KEGG.COMPOUND
• ChemBank
• Aeolus
• PUBCHEM.SUBSTANCE
• SIDER.DRUG
• INCHI
• INCHIKEY
• KEGG.GLYCAN
• KEGG.DRUG
• KEGG.DGROUP
• KEGG.ENVIRON

Parents

• is_a: MolecularEntity - A gene, gene product, small molecule or macromolecule (including protein complex)”

Children

• Carbohydrate
• ChemicalExposure - A chemical exposure is an intake of a particular chemical substance, other than a drug.
• FoodComponent
• Metabolite - Any intermediate or product resulting from metabolism. Includes primary and secondary metabolites.
• ProcessedMaterial - A chemical substance (often a mixture) processed for consumption for nutritional, medical or technical use.

Referenced by class

• ChemicalToChemicalAssociation chemical to chemical association➞object _REQ ChemicalSubstance
• ChemicalToChemicalDerivationAssociation chemical to chemical derivation association➞object _REQ ChemicalSubstance
• ChemicalToChemicalDerivationAssociation chemical to chemical derivation association➞subject _REQ ChemicalSubstance
• ChemicalToEntityAssociationMixin chemical to entity association mixin➞subject _REQ ChemicalSubstance
• Drug has active ingredient _0..* ChemicalSubstance
• NamedThing has constituent _0..* ChemicalSubstance
• Drug has excipient _0..* ChemicalSubstance
• ChemicalSubstance has metabolite _0..* ChemicalSubstance
• ChemicalSubstance is metabolite of _0..* ChemicalSubstance
• MolecularActivity molecular activity➞has input _0..* ChemicalSubstance
• MolecularActivity molecular activity➞has output _0..* ChemicalSubstance

Attributes

Own

• is metabolite _OPT
  • Description: indicates whether a chemical substance is a metabolite
  • range: Boolean

Inherited from entity:

• id _REQ
  • Description: A unique identifier for an entity. Must be either a CURIE shorthand for a URI or a complete URI
  • range: String
  • in subsets: (translator_minimal)
• iri _OPT
  • Description: An IRI for an entity. This is determined by the id using expansion rules.
  • range: IriType
  • in subsets: (translator_minimal,samples)
• category _1..*
  • Description: Name of the high level ontology class in which this entity is categorized. Corresponds to the label for the biolink entity type class.
• In a neo4j database this MAY correspond to the neo4j label tag.
• In an RDF database it should be a biolink model class URI. This field is multi-valued. It should include values for ancestors of the biolink class; for example, a protein such as Shh would have category values bl:Protein, bl:GeneProduct, bl:MolecularEntity, … In an RDF database, nodes will typically have an rdf:type triples. This can be to the most specific biolink class, or potentially to a class more specific than something in biolink. For example, a sequence feature f may have a rdf:type assertion to a SO class such as TF_binding_site, which is more specific than anything in biolink. Here we would have categories {bl:GenomicEntity, bl:MolecularEntity, bl:NamedThing}
  • range: CategoryType
  • in subsets: (translator_minimal)
• type _OPT
  • range: String
• description _OPT
  • Description: a human-readable description of an entity
  • range: NarrativeText
  • in subsets: (translator_minimal)
• source _OPT
  • Description: a lightweight analog to the association class ‘has provider’ slot, which is the string name, or the authoritative (i.e. database) namespace, designating the origin of the entity to which the slot belongs.
  • range: LabelType
  • in subsets: (translator_minimal)
• provided by _0..*
  • Description: connects an association to the agent (person, organization or group) that provided it
  • range: Agent
• has attribute _0..*
  • Description: connects any entity to an attribute
  • range: Attribute
  • in subsets: (samples)

Inherited from macromolecular machine mixin:

• macromolecular machine mixin➞name _OPT
  • Description: genes are typically designated by a short symbol and a full name. We map the symbol to the default display name and use an additional slot for full name
  • range: SymbolType

Inherited from named thing:

• named thing➞category _1..*
  • range: NamedThing

Inherited from thing with taxon:

• in taxon _0..*
  • Description: connects an entity to its taxonomic classification. Only certain kinds of entities can be taxonomically classified; see ‘thing with taxon’
  • range: OrganismTaxon
  • in subsets: (translator_minimal)

Domain for slot:

• is metabolite _OPT
  • Description: indicates whether a chemical substance is a metabolite
  • range: Boolean

Other properties