Class: MolecularEntity

URI: schema:MolecularEntity

Inheritance

• Thing
  • BioChemEntity
    • MolecularEntity

Slots

Name	Range	Cardinality	Description	Info
inChI	Text	0..*	None	.
inChIKey	Text	0..*	None	.
smiles	Text	0..*	None	.
chemicalRole	DefinedTerm	0..*	None	.
iupacName	Text	0..*	None	.
molecularFormula	Text	0..*	None	.
molecularWeight	NONE	0..*	None	.
monoisotopicMolecularWeight	NONE	0..*	None	.
potentialUse	DefinedTerm	0..*	None	.
hasRepresentation	NONE	0..*	None	.
associatedDisease	NONE	0..*	None	.
bioChemInteraction	BioChemEntity	0..*	None	.
bioChemSimilarity	BioChemEntity	0..*	None	.
biologicalRole	DefinedTerm	0..*	None	.
hasBioChemEntityPart	BioChemEntity	0..*	None	.
hasMolecularFunction	NONE	0..*	None	.
isEncodedByBioChemEntity	Gene	0..*	None	.
isInvolvedInBiologicalProcess	NONE	0..*	None	.
isLocatedInSubcellularLocation	NONE	0..*	None	.
isPartOfBioChemEntity	BioChemEntity	0..*	None	.
taxonomicRange	NONE	0..*	None	.
additionalType	URL	0..*	None	.
description	Text	0..*	None	.
disambiguatingDescription	Text	0..*	None	.
identifier	NONE	0..*	None	.
image	NONE	0..*	None	.
name	Text	0..*	None	.
sameAs	URL	0..*	None	.
alternateName	Text	0..*	None	.
mainEntityOfPage	NONE	0..*	None	.
potentialAction	Action	0..*	None	.
subjectOf	NONE	0..*	None	.
url	URL	0..*	None	.

Usages

Identifier and Mapping Information

LinkML Specification

Direct

name: MolecularEntity
comments:
- Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical,
  radical ion, complex, conformer etc., identifiable as a separately distinguishable
  entity.
from_schema: http://w3id.og/linkml/schemaorg
is_a: BioChemEntity
slots:
- inChI
- inChIKey
- smiles
- chemicalRole
- iupacName
- molecularFormula
- molecularWeight
- monoisotopicMolecularWeight
- potentialUse
class_uri: schema:MolecularEntity

Induced

name: MolecularEntity
comments:
- Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical,
  radical ion, complex, conformer etc., identifiable as a separately distinguishable
  entity.
from_schema: http://w3id.og/linkml/schemaorg
is_a: BioChemEntity
attributes:
  inChI:
    name: inChI
    comments:
    - Non-proprietary identifier for molecular entity that can be used in printed
      and electronic data sources thus enabling easier linking of diverse data compilations.
    from_schema: http://w3id.og/linkml/schemaorg
    is_a: hasRepresentation
    slot_uri: schema:inChI
    multivalued: true
    alias: inChI
    owner: MolecularEntity
    range: Text
  inChIKey:
    name: inChIKey
    comments:
    - InChIKey is a hashed version of the full InChI (using the SHA-256 algorithm).
    from_schema: http://w3id.og/linkml/schemaorg
    is_a: hasRepresentation
    slot_uri: schema:inChIKey
    multivalued: true
    alias: inChIKey
    owner: MolecularEntity
    range: Text
  smiles:
    name: smiles
    comments:
    - 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.
    from_schema: http://w3id.og/linkml/schemaorg
    is_a: hasRepresentation
    slot_uri: schema:smiles
    multivalued: true
    alias: smiles
    owner: MolecularEntity
    range: Text
  chemicalRole:
    name: chemicalRole
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: chemicalRole
    owner: MolecularEntity
    range: DefinedTerm
  iupacName:
    name: iupacName
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: iupacName
    owner: MolecularEntity
    range: Text
  molecularFormula:
    name: molecularFormula
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: molecularFormula
    owner: MolecularEntity
    range: Text
  molecularWeight:
    name: molecularWeight
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: molecularWeight
    owner: MolecularEntity
    any_of:
    - range: QuantitativeValue
    - range: Text
  monoisotopicMolecularWeight:
    name: monoisotopicMolecularWeight
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: monoisotopicMolecularWeight
    owner: MolecularEntity
    any_of:
    - range: QuantitativeValue
    - range: Text
  potentialUse:
    name: potentialUse
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: potentialUse
    owner: MolecularEntity
    range: DefinedTerm
  hasRepresentation:
    name: hasRepresentation
    comments:
    - A common representation such as a protein sequence or chemical structure for
      this entity. For images use schema.org/image.
    from_schema: http://w3id.og/linkml/schemaorg
    slot_uri: schema:hasRepresentation
    multivalued: true
    alias: hasRepresentation
    owner: MolecularEntity
    any_of:
    - range: PropertyValue
    - range: Text
    - range: URL
  associatedDisease:
    name: associatedDisease
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: associatedDisease
    owner: MolecularEntity
    any_of:
    - range: MedicalCondition
    - range: PropertyValue
    - range: URL
  bioChemInteraction:
    name: bioChemInteraction
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: bioChemInteraction
    owner: MolecularEntity
    range: BioChemEntity
  bioChemSimilarity:
    name: bioChemSimilarity
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: bioChemSimilarity
    owner: MolecularEntity
    range: BioChemEntity
  biologicalRole:
    name: biologicalRole
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: biologicalRole
    owner: MolecularEntity
    range: DefinedTerm
  hasBioChemEntityPart:
    name: hasBioChemEntityPart
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: hasBioChemEntityPart
    owner: MolecularEntity
    range: BioChemEntity
  hasMolecularFunction:
    name: hasMolecularFunction
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: hasMolecularFunction
    owner: MolecularEntity
    any_of:
    - range: DefinedTerm
    - range: PropertyValue
    - range: URL
  isEncodedByBioChemEntity:
    name: isEncodedByBioChemEntity
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: isEncodedByBioChemEntity
    owner: MolecularEntity
    range: Gene
  isInvolvedInBiologicalProcess:
    name: isInvolvedInBiologicalProcess
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: isInvolvedInBiologicalProcess
    owner: MolecularEntity
    any_of:
    - range: DefinedTerm
    - range: PropertyValue
    - range: URL
  isLocatedInSubcellularLocation:
    name: isLocatedInSubcellularLocation
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: isLocatedInSubcellularLocation
    owner: MolecularEntity
    any_of:
    - range: DefinedTerm
    - range: PropertyValue
    - range: URL
  isPartOfBioChemEntity:
    name: isPartOfBioChemEntity
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: isPartOfBioChemEntity
    owner: MolecularEntity
    range: BioChemEntity
  taxonomicRange:
    name: taxonomicRange
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: taxonomicRange
    owner: MolecularEntity
    any_of:
    - range: DefinedTerm
    - range: Taxon
    - range: Text
    - range: URL
  additionalType:
    name: additionalType
    comments:
    - 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.
    from_schema: http://w3id.og/linkml/schemaorg
    is_a: type
    slot_uri: schema:additionalType
    multivalued: true
    alias: additionalType
    owner: MolecularEntity
    range: URL
  description:
    name: description
    comments:
    - A description of the item.
    from_schema: http://w3id.og/linkml/schemaorg
    slot_uri: schema:description
    multivalued: true
    alias: description
    owner: MolecularEntity
    range: Text
  disambiguatingDescription:
    name: disambiguatingDescription
    comments:
    - 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.
    from_schema: http://w3id.og/linkml/schemaorg
    is_a: description
    slot_uri: schema:disambiguatingDescription
    multivalued: true
    alias: disambiguatingDescription
    owner: MolecularEntity
    range: Text
  identifier:
    name: identifier
    comments:
    - "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.\n        "
    from_schema: http://w3id.og/linkml/schemaorg
    slot_uri: schema:identifier
    multivalued: true
    alias: identifier
    owner: MolecularEntity
    any_of:
    - range: PropertyValue
    - range: Text
    - range: URL
  image:
    name: image
    comments:
    - An image of the item. This can be a [[URL]] or a fully described [[ImageObject]].
    from_schema: http://w3id.og/linkml/schemaorg
    slot_uri: schema:image
    multivalued: true
    alias: image
    owner: MolecularEntity
    any_of:
    - range: ImageObject
    - range: URL
  name:
    name: name
    comments:
    - The name of the item.
    from_schema: http://w3id.og/linkml/schemaorg
    slot_uri: schema:name
    multivalued: true
    alias: name
    owner: MolecularEntity
    range: Text
  sameAs:
    name: sameAs
    comments:
    - 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.
    from_schema: http://w3id.og/linkml/schemaorg
    slot_uri: schema:sameAs
    multivalued: true
    alias: sameAs
    owner: MolecularEntity
    range: URL
  alternateName:
    name: alternateName
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: alternateName
    owner: MolecularEntity
    range: Text
  mainEntityOfPage:
    name: mainEntityOfPage
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: mainEntityOfPage
    owner: MolecularEntity
    any_of:
    - range: CreativeWork
    - range: URL
  potentialAction:
    name: potentialAction
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: potentialAction
    owner: MolecularEntity
    range: Action
  subjectOf:
    name: subjectOf
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: subjectOf
    owner: MolecularEntity
    any_of:
    - range: CreativeWork
    - range: Event
  url:
    name: url
    from_schema: http://w3id.og/linkml/schemaorg
    multivalued: true
    alias: url
    owner: MolecularEntity
    range: URL
class_uri: schema:MolecularEntity