Skip to content

Class: ChemicalSubstance

A MaterialEntity that is composed of multiple Chemical Entities of either the same or different kind

URI: CHEBI:59999

classDiagram class ChemicalSubstance click ChemicalSubstance href "../ChemicalSubstance" MaterialEntity <|-- ChemicalSubstance click MaterialEntity href "../MaterialEntity" ChemicalSubstance : composed_of_chemical_entity ChemicalSubstance : description ChemicalSubstance : id ChemicalSubstance : iupac_name ChemicalSubstance : name ChemicalSubstance : provenance ChemicalSubstance : space_group

Inheritance

Slots

Name Cardinality and Range Description Inheritance
provenance 0..1
String		 A property to provide a specific setting of a device direct
composed_of_chemical_entity *
String		 A property to provide the chemical entities of which a chemical substance is ... direct
space_group 0..1
String		 A property to provide the space group of a Chemical Substance direct
iupac_name 0..1
String		 A property to provide the IUPAC name of a Chemical Substance or Chemical Enti... direct
id 1
Uriorcurie		 A property to provide the unique identifier for a thing MinimalMetadataMixin
name 0..1
String		 A property to provide the human-readable name for a thing MinimalMetadataMixin
description 0..1
String		 A property to provide the human-readable description for a thing MinimalMetadataMixin

Usages

used by used in type used
ChemicalSubstance provenance domain ChemicalSubstance
ChemicalSubstance composed_of_chemical_entity domain ChemicalSubstance
ChemicalSubstance space_group domain ChemicalSubstance

Comments

  • CHEBI definition: A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types.
  • Examples: a polymer, a mixture of ethanol and methanol, O2 Ti

TODOs

  • we need to describe ratios of chemical entities in a chemical substance

Identifier and Mapping Information

Schema Source

  • from schema: https://w3id.org/NFDI4Chem/MIChI

Mappings

Mapping Type Mapped Value
self CHEBI:59999
native michi:ChemicalSubstance

LinkML Source

Direct

name: ChemicalSubstance
description: A MaterialEntity that is composed of multiple Chemical Entities of either
  the same or different kind
todos:
- we need to describe ratios of chemical entities in a chemical substance
comments:
- 'CHEBI definition: A chemical substance is a portion of matter of constant composition,
  composed of molecular entities of the same type or of different types.'
- 'Examples: a polymer, a mixture of ethanol and methanol, O2 Ti'
from_schema: https://w3id.org/NFDI4Chem/MIChI
is_a: MaterialEntity
slots:
- provenance
- composed_of_chemical_entity
- space_group
- iupac_name
class_uri: CHEBI:59999

Induced

name: ChemicalSubstance
description: A MaterialEntity that is composed of multiple Chemical Entities of either
  the same or different kind
todos:
- we need to describe ratios of chemical entities in a chemical substance
comments:
- 'CHEBI definition: A chemical substance is a portion of matter of constant composition,
  composed of molecular entities of the same type or of different types.'
- 'Examples: a polymer, a mixture of ethanol and methanol, O2 Ti'
from_schema: https://w3id.org/NFDI4Chem/MIChI
is_a: MaterialEntity
attributes:
  provenance:
    name: provenance
    description: A property to provide a specific setting of a device
    from_schema: https://w3id.org/NFDI4Chem/MIChI
    rank: 1000
    domain: ChemicalSubstance
    alias: provenance
    owner: ChemicalSubstance
    domain_of:
    - ChemicalSubstance
    range: string
  composed_of_chemical_entity:
    name: composed_of_chemical_entity
    description: A property to provide the chemical entities of which a chemical substance
      is composed of.
    from_schema: https://w3id.org/NFDI4Chem/MIChI
    rank: 1000
    domain: ChemicalSubstance
    multivalued: true
    alias: composed_of_chemical_entity
    owner: ChemicalSubstance
    domain_of:
    - ChemicalSubstance
    range: string
  space_group:
    name: space_group
    description: A property to provide the space group of a Chemical Substance.
    from_schema: https://w3id.org/NFDI4Chem/MIChI
    rank: 1000
    domain: ChemicalSubstance
    alias: space_group
    owner: ChemicalSubstance
    domain_of:
    - ChemicalSubstance
    range: string
  iupac_name:
    name: iupac_name
    description: A property to provide the IUPAC name of a Chemical Substance or Chemical
      Entity.
    from_schema: https://w3id.org/NFDI4Chem/MIChI
    rank: 1000
    alias: iupac_name
    owner: ChemicalSubstance
    domain_of:
    - ChemicalEntity
    - ChemicalSubstance
    range: string
  id:
    name: id
    description: A property to provide the unique identifier for a thing
    from_schema: https://w3id.org/NFDI4Chem/MIChI
    rank: 1000
    slot_uri: dct:identifier
    identifier: true
    alias: id
    owner: ChemicalSubstance
    domain_of:
    - MinimalMetadataMixin
    range: uriorcurie
    required: true
  name:
    name: name
    description: A property to provide the human-readable name for a thing
    from_schema: https://w3id.org/NFDI4Chem/MIChI
    rank: 1000
    slot_uri: dct:title
    alias: name
    owner: ChemicalSubstance
    domain_of:
    - MinimalMetadataMixin
    range: string
  description:
    name: description
    description: A property to provide the human-readable description for a thing
    from_schema: https://w3id.org/NFDI4Chem/MIChI
    rank: 1000
    slot_uri: dct:description
    alias: description
    owner: ChemicalSubstance
    domain_of:
    - MinimalMetadataMixin
    range: string
class_uri: CHEBI:59999