| Property | Expected Type | description |
|---|---|---|
| chemicalRole | 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 | 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>. | |
| 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>. | |
| potentialUse | 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 in formats where the backslash is an escape character. |
| Property | Expected Type | description |
|---|---|---|
| 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. | |
| bioChemInteraction | A BioChemEntity that is known to interact with this item. | |
| bioChemSimilarity | A similar BioChemEntity, e.g., obtained by fingerprint similarity algorithms. | |
| biologicalRole | A role played by the BioChemEntity within a biological context. | |
| funding | A Grant that directly or indirectly provide funding or sponsorship for this item. See also ownershipFundingInfo. | |
| hasBioChemEntityPart | Indicates a BioChemEntity that (in some sense) has this BioChemEntity as a part. | |
| hasMolecularFunction | Molecular function performed by this BioChemEntity; please use PropertyValue if you want to include any evidence. | |
| hasRepresentation | A common representation such as a protein sequence or chemical structure for this entity. For images use schema.org/image. | |
| isEncodedByBioChemEntity | Another BioChemEntity encoding by this one. | |
| isInvolvedInBiologicalProcess | Biological process this BioChemEntity is involved in; please use PropertyValue if you want to include any evidence. | |
| isLocatedInSubcellularLocation | Subcellular location where this BioChemEntity is located; please use PropertyValue if you want to include any evidence. | |
| isPartOfBioChemEntity | Indicates a BioChemEntity that is (in some sense) a part of this BioChemEntity. | |
| taxonomicRange | The taxonomic grouping of the organism that expresses, encodes, or in some way related to the BioChemEntity. |
| Property | Expected Type | description |
|---|---|---|
| additionalType | 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 in. In RDFa syntax, it is better to use the native RDFa syntax - the 'typeof' attribute - for multiple types. Schema.org tools may have only weaker understanding of extra types, in particular those defined externally. |
| alternateName | Text | An alias for the item. |
| description | Text | 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 description to be useful for disambiguation. |
| identifier | The identifier property represents any kind of identifier for any kind of Thing, such as ISBNs, GTIN codes, UUIDs etc. | |
| image | URL ImageObject | An image of the item. This can be a URL or a fully described ImageObject. |
| instanceOf | Type to which this subject belongs. Use for membership in a value set (Enumeration), not inheritance. Example: K2 instanceOf mountain; volcano subClassOf mountain. | |
| mainEntityOfPage | URL CreativeWork | 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 | 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 | A CreativeWork or Event about this Thing. | |
| url | URL | URL of the item. |