MolecularEntity

Status: Pending

Breadcrumb: Thing > BioChemEntity > MolecularEntity

Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.

Parent types

BioChemEntity

Properties

Properties for MolecularEntity

Property	Expected type	Defined on	Description
chemicalRole	DefinedTerm	MolecularEntity	A role played by the BioChemEntity within a chemical context.
inChI	Text	MolecularEntity	Non-proprietary identifier for molecular entity that can be used in printed and electronic data sources thus enabling easier linking of diverse data compilations.
inChIKey	Text	MolecularEntity	InChIKey is a hashed version of the full InChI (using the SHA-256 algorithm).
iupacName	Text	MolecularEntity	Systematic method of naming chemical compounds as recommended by the International Union of Pure and Applied Chemistry (IUPAC).
molecularFormula	Text	MolecularEntity	The empirical formula is the simplest whole number ratio of all the atoms in a molecule.
molecularWeight	QuantitativeValue, Text	MolecularEntity	This is the molecular weight of the entity being described, not of the parent. Units should be included in the form ' ', for example '12 amu' or as ' .
monoisotopicMolecularWeight	QuantitativeValue, Text	MolecularEntity	The monoisotopic mass is the sum of the masses of the atoms in a molecule using the unbound, ground-state, rest mass of the principal (most abundant) isotope for each element instead of the isotopic average mass. Please include the units in the form ' ', for example '770.230488 g/mol' or as ' .
potentialUse	DefinedTerm	MolecularEntity	Intended use of the BioChemEntity by humans.
smiles	Text	MolecularEntity	A specification in form of a line notation for describing the structure of chemical species using short ASCII strings. Double bond stereochemistry \ indicators may need to be escaped in the string in formats where the backslash is an escape character.

Inherited properties

Property	Expected type	Inherited from	Description
additionalType	Text, URL	Thing	An additional type for the item, typically used for adding more specific types from external vocabularies in microdata syntax. This is a relationship between something and a class that the thing is in. Typically the value is a URI-identified RDF class, and in this case corresponds to the use of rdf:type in RDF. Text values can be used sparingly, for cases where useful information can be added without their being an appropriate schema to reference. In the case of text values, the class label should follow the schema.org style guide.
alternateName	Text	Thing	An alias for the item.
associatedDisease	MedicalCondition, PropertyValue, URL	BioChemEntity	Disease associated to this BioChemEntity. Such disease can be a MedicalCondition or a URL. If you want to add an evidence supporting the association, please use PropertyValue.
bioChemInteraction	BioChemEntity	BioChemEntity	A BioChemEntity that is known to interact with this item.
bioChemSimilarity	BioChemEntity	BioChemEntity	A similar BioChemEntity, e.g., obtained by fingerprint similarity algorithms.
biologicalRole	DefinedTerm	BioChemEntity	A role played by the BioChemEntity within a biological context.
description	Text, TextObject	Thing	A description of the item.
disambiguatingDescription	Text	Thing	A sub property of description. A short description of the item used to disambiguate from other, similar items. Information from other properties (in particular, name) may be necessary for the description to be useful for disambiguation.
funding	Grant	BioChemEntity	A Grant that directly or indirectly provide funding or sponsorship for this item. See also ownershipFundingInfo.
hasBioChemEntityPart	BioChemEntity	BioChemEntity	Indicates a BioChemEntity that (in some sense) has this BioChemEntity as a part.
hasMolecularFunction	DefinedTerm, PropertyValue, URL	BioChemEntity	Molecular function performed by this BioChemEntity; please use PropertyValue if you want to include any evidence.
hasRepresentation	PropertyValue, Text, URL	BioChemEntity	A common representation such as a protein sequence or chemical structure for this entity. For images use schema.org/image.
identifier	PropertyValue, Text, URL	Thing	The identifier property represents any kind of identifier for any kind of Thing, such as ISBNs, GTIN codes, UUIDs etc. Schema.org provides dedicated properties for representing many of these, either as textual strings or as URL (URI) links. See background notes for more details.
image	ImageObject, URL	Thing	An image of the item. This can be a URL or a fully described ImageObject.
isEncodedByBioChemEntity	Gene	BioChemEntity	Another BioChemEntity encoding by this one.
isInvolvedInBiologicalProcess	DefinedTerm, PropertyValue, URL	BioChemEntity	Biological process this BioChemEntity is involved in; please use PropertyValue if you want to include any evidence.
isLocatedInSubcellularLocation	DefinedTerm, PropertyValue, URL	BioChemEntity	Subcellular location where this BioChemEntity is located; please use PropertyValue if you want to include any evidence.
isPartOfBioChemEntity	BioChemEntity	BioChemEntity	Indicates a BioChemEntity that is (in some sense) a part of this BioChemEntity.
mainEntityOfPage	CreativeWork, URL	Thing	Indicates a page (or other CreativeWork) for which this thing is the main entity being described. See background notes for details.
name	Text	Thing	The name of the item.
owner	Organization, Person	Thing	A person or organization who owns this Thing.
potentialAction	Action	Thing	Indicates a potential Action, which describes an idealized action in which this thing would play an 'object' role.
sameAs	URL	Thing	URL of a reference Web page that unambiguously indicates the item's identity. E.g. the URL of the item's Wikipedia page, Wikidata entry, or official website.
subjectOf	CreativeWork, Event	Thing	A CreativeWork or Event about this Thing.
taxonomicRange	DefinedTerm, Taxon, Text, URL	BioChemEntity	The taxonomic grouping of the organism that expresses, encodes, or in some way related to the BioChemEntity.
url	URL	Thing	URL of the item.

Example

json

{
  "@context": "https://schema.org",
  "@type": "MolecularEntity",
  "name": "Example Name",
  "description": "A short description.",
  "url": "/example",
  "chemicalRole": "Example value",
  "inChI": "Example value"
}

MolecularEntity ​

Parent types ​

Properties ​

Properties for MolecularEntity ​