Schema.org Vocabulary › Class: MolecularEntity
https://schema.org/MolecularEntity
Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.
Subclass of: BioChemEntity
| Property | Description | Range |
|---|---|---|
| molecularFormula | The empirical formula is the simplest whole number ratio of all the atoms in a molecule. | Text |
| monoisotopicMolecularWeight | 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 '<Number> <unit>', for example '770.230488 g/mol' or as '<QuantitativeValue>. | Text, QuantitativeValue |
| smiles | 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. | Text |
| inChI | Non-proprietary identifier for molecular entity that can be used in printed and electronic data sources thus enabling easier linking of diverse data compilations. | Text |
| potentialUse | Intended use of the BioChemEntity by humans. | DefinedTerm |
| molecularWeight | This is the molecular weight of the entity being described, not of the parent. Units should be included in the form '<Number> <unit>', for example '12 amu' or as '<QuantitativeValue>. | QuantitativeValue, Text |
| iupacName | Systematic method of naming chemical compounds as recommended by the International Union of Pure and Applied Chemistry (IUPAC). | Text |
| inChIKey | InChIKey is a hashed version of the full InChI (using the SHA-256 algorithm). | Text |
| chemicalRole | A role played by the BioChemEntity within a chemical context. | DefinedTerm |
| Property | Description | Range |
|---|---|---|
| hasRepresentation | A common representation such as a protein sequence or chemical structure for this entity. For images use schema.org/image. | Text, URL, PropertyValue |
| hasMolecularFunction | Molecular function performed by this BioChemEntity; please use PropertyValue if you want to include any evidence. | PropertyValue, DefinedTerm, URL |
| bioChemInteraction | A BioChemEntity that is known to interact with this item. | BioChemEntity |
| isInvolvedInBiologicalProcess | Biological process this BioChemEntity is involved in; please use PropertyValue if you want to include any evidence. | PropertyValue, DefinedTerm, URL |
| taxonomicRange | The taxonomic grouping of the organism that expresses, encodes, or in some way related to the BioChemEntity. | DefinedTerm, Text, URL, Taxon |
| isLocatedInSubcellularLocation | Subcellular location where this BioChemEntity is located; please use PropertyValue if you want to include any evidence. | DefinedTerm, URL, PropertyValue |
| funding | A [[Grant]] that directly or indirectly provide funding or sponsorship for this item. See also [[ownershipFundingInfo]]. | Grant |
| biologicalRole | A role played by the BioChemEntity within a biological context. | DefinedTerm |
| isPartOfBioChemEntity | Indicates a BioChemEntity that is (in some sense) a part of this BioChemEntity. | BioChemEntity |
| isEncodedByBioChemEntity | Another BioChemEntity encoding by this one. | Gene |
| hasBioChemEntityPart | Indicates a BioChemEntity that (in some sense) has this BioChemEntity as a part. | BioChemEntity |
| bioChemSimilarity | A similar BioChemEntity, e.g., obtained by fingerprint similarity algorithms. | BioChemEntity |
| associatedDisease | 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. | PropertyValue, MedicalCondition, URL |
| Property | Description | Range |
|---|---|---|
| potentialAction | Indicates a potential Action, which describes an idealized action in which this thing would play an 'object' role. | Action |
| image | An image of the item. This can be a [[URL]] or a fully described [[ImageObject]]. | URL, ImageObject |
| sameAs | 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. | URL |
| owner | A person or organization who owns this Thing. | Organization, Person |
| description | A description of the item. | TextObject, Text |
| subjectOf | A CreativeWork or Event about this Thing. | Event, CreativeWork |
| url | URL of the item. | URL |
| additionalType | 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. | Text, URL |
| disambiguatingDescription | 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. | Text |
| alternateName | An alias for the item. | Text |
| name | The name of the item. | Text |
| identifier | 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](/docs/datamodel.html#identifierBg) for more details. | Text, URL, PropertyValue |
| mainEntityOfPage | Indicates a page (or other CreativeWork) for which this thing is the main entity being described. See [background notes](/docs/datamodel.html#mainEntityBackground) for details. | CreativeWork, URL |