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