Class: ChemicalSubstance

A MaterialEntity of constant composition, composed of chemical entities of the same type or of different types.

 classDiagram
    class ChemicalSubstance
    click ChemicalSubstance href "../../classes/ChemicalSubstance/"
      MaterialEntity <|-- ChemicalSubstance
        click MaterialEntity href "../../classes/MaterialEntity/"


      ChemicalSubstance <|-- SubstanceSample
        click SubstanceSample href "../../classes/SubstanceSample/"
      ChemicalSubstance <|-- Polymer
        click Polymer href "../../classes/Polymer/"
      ChemicalSubstance <|-- StartingMaterial
        click StartingMaterial href "../../classes/StartingMaterial/"
      ChemicalSubstance <|-- DissolvingSubstance
        click DissolvingSubstance href "../../classes/DissolvingSubstance/"
      ChemicalSubstance <|-- Reagent
        click Reagent href "../../classes/Reagent/"
      ChemicalSubstance <|-- ChemicalProduct
        click ChemicalProduct href "../../classes/ChemicalProduct/"
      ChemicalSubstance <|-- Catalyst
        click Catalyst href "../../classes/Catalyst/"


      ChemicalSubstance : alternative_label

      ChemicalSubstance : composed_of





        ChemicalSubstance --> "* _recommended_" ChemicalEntity : composed_of
        click ChemicalEntity href "../../classes/ChemicalEntity/"



      ChemicalSubstance : description

      ChemicalSubstance : has_amount





        ChemicalSubstance --> "* _recommended_" AmountOfSubstance : has_amount
        click AmountOfSubstance href "../../classes/AmountOfSubstance/"



      ChemicalSubstance : has_concentration





        ChemicalSubstance --> "* _recommended_" Concentration : has_concentration
        click Concentration href "../../classes/Concentration/"



      ChemicalSubstance : has_density





        ChemicalSubstance --> "* _recommended_" Density : has_density
        click Density href "../../classes/Density/"



      ChemicalSubstance : has_mass





        ChemicalSubstance --> "* _recommended_" Mass : has_mass
        click Mass href "../../classes/Mass/"



      ChemicalSubstance : has_molar_equivalent





        ChemicalSubstance --> "* _recommended_" MolarEquivalent : has_molar_equivalent
        click MolarEquivalent href "../../classes/MolarEquivalent/"



      ChemicalSubstance : has_part





        ChemicalSubstance --> "* _recommended_" MaterialEntity : has_part
        click MaterialEntity href "../../classes/MaterialEntity/"



      ChemicalSubstance : has_percentage_of_total





        ChemicalSubstance --> "* _recommended_" PercentageOfTotal : has_percentage_of_total
        click PercentageOfTotal href "../../classes/PercentageOfTotal/"



      ChemicalSubstance : has_ph_value





        ChemicalSubstance --> "* _recommended_" PHValue : has_ph_value
        click PHValue href "../../classes/PHValue/"



      ChemicalSubstance : has_physical_state





        ChemicalSubstance --> "0..1" PhysicalStateEnum : has_physical_state
        click PhysicalStateEnum href "../../enums/PhysicalStateEnum/"



      ChemicalSubstance : has_pressure





        ChemicalSubstance --> "* _recommended_" Pressure : has_pressure
        click Pressure href "../../classes/Pressure/"



      ChemicalSubstance : has_qualitative_attribute





        ChemicalSubstance --> "* _recommended_" QualitativeAttribute : has_qualitative_attribute
        click QualitativeAttribute href "../../classes/QualitativeAttribute/"



      ChemicalSubstance : has_quantitative_attribute





        ChemicalSubstance --> "* _recommended_" QuantitativeAttribute : has_quantitative_attribute
        click QuantitativeAttribute href "../../classes/QuantitativeAttribute/"



      ChemicalSubstance : has_temperature





        ChemicalSubstance --> "* _recommended_" Temperature : has_temperature
        click Temperature href "../../classes/Temperature/"



      ChemicalSubstance : has_volume





        ChemicalSubstance --> "* _recommended_" Volume : has_volume
        click Volume href "../../classes/Volume/"



      ChemicalSubstance : id

      ChemicalSubstance : other_identifier





        ChemicalSubstance --> "*" Identifier : other_identifier
        click Identifier href "../../classes/Identifier/"



      ChemicalSubstance : part_of





        ChemicalSubstance --> "*" Entity : part_of
        click Entity href "../../classes/Entity/"



      ChemicalSubstance : rdf_type





        ChemicalSubstance --> "0..1 _recommended_" DefinedTerm : rdf_type
        click DefinedTerm href "../../classes/DefinedTerm/"



      ChemicalSubstance : title

      ChemicalSubstance : type





        ChemicalSubstance --> "0..1" DefinedTerm : type
        click DefinedTerm href "../../classes/DefinedTerm/"

Inheritance

Entity [ ClassifierMixin]
- MaterialEntity [ Materialistic]
  - ChemicalSubstance

Slots

Name	Cardinality and Range	Description	Inheritance
has_concentration	* recommended Concentration	The slot to provide the Concentration of a ChemicalSubstance.	direct
has_ph_value	* recommended PHValue	The slot to provide the PHValue of a ChemicalSubstance.	direct
composed_of	* recommended ChemicalEntity	The slot to provide the chemical entities of which a ChemicalSubstance is composed of.	direct
has_molar_equivalent	* recommended MolarEquivalent	A slot to provide the MolarEquivalent of a ChemicalSubstance, such as the DissolvingSubstance, Starting Material or Reactant, within the context of a chemical reaction.	direct
has_amount	* recommended AmountOfSubstance	The slot to provide the AmountConcentration of a ChemicalSubstance.	direct
has_percentage_of_total	* recommended PercentageOfTotal	A slot to specify the percentage of a specific ChemicalSubstance in relation to the total amount of that same substance used across a multi-step reaction.	direct
alternative_label	0..1 String	The slot to specify an alternative label, name or title for a MaterialEntity.	Materialistic
has_physical_state	0..1 PhysicalStateEnum	The slot to specify the physical state of a MaterialEntity.	Materialistic
has_temperature	* recommended Temperature	The slot to provide the Temperature of a MaterialEntity.	Materialistic
has_mass	* recommended Mass	The slot to provide the Mass of a MaterialEntity.	Materialistic
has_volume	* recommended Volume	The slot to provide the Volume of a MaterialEntity.	Materialistic
has_density	* recommended Density	The slot to provide the Density of a MaterialEntity.	Materialistic
has_pressure	* recommended Pressure	The slot to provide the Pressure of a MaterialEntity.	Materialistic
title	0..1 String	The slot to provide a title for the Entity.	Entity
description	0..1 String	The slot to provide a description for the Entity.	Entity
id	1 Uriorcurie	A slot to provide an URI for an entity within this schema.	Entity
other_identifier	* Identifier	A slot to provide a secondary identifier of the Entity.	Entity
has_qualitative_attribute	* recommended QualitativeAttribute	The slot to relate a qualitative attribute to an EvaluatedEntity, EvaluatedActivity or AgenticEntity	Entity
has_quantitative_attribute	* recommended QuantitativeAttribute	The slot to relate a quantitative attribute to an EvaluatedEntity, EvaluatedActivity or AgenticEntity	Entity
has_part	* recommended MaterialEntity	The slot to provide the parts of a MaterialEntity.	Entity
part_of	* Entity	The slot to specify an Entity of which the Entity is a part.	Entity
type	0..1 DefinedTerm	This slot is described in more detail within the class in which it is used.	ClassifierMixin
rdf_type	0..1 recommended DefinedTerm	The slot to specify the ontology class that is instantiated by an entity.	ClassifierMixin

Mixin Usage

mixed into	description
SubstanceSample	A MaterialSample derived from a ChemicalSubstance that is of interest in an analytical procedure.
DissolvingSubstance	A liquid ChemicalSubstance that dissolves or that is capable of dissolving a ChemicalSubstance.
Catalyst	A ChemicalSubstance or MaterialEntity that initiates or accelerates a ChemicalReaction without itself being affected.

Identifier and Mapping Information

Schema Source

from schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry

Mappings

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

LinkML Source

Direct

name: ChemicalSubstance
description: A MaterialEntity of constant composition, composed of chemical entities
  of the same type or of different types.
from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
is_a: MaterialEntity
mixin: true
slots:
- has_concentration
- has_ph_value
- composed_of
- has_molar_equivalent
- has_amount
- has_percentage_of_total
class_uri: CHEBI:59999

Induced

name: ChemicalSubstance
description: A MaterialEntity of constant composition, composed of chemical entities
  of the same type or of different types.
from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
is_a: MaterialEntity
mixin: true
attributes:
  has_concentration:
    name: has_concentration
    description: The slot to provide the Concentration of a ChemicalSubstance.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_concentration
    owner: ChemicalSubstance
    domain_of:
    - ChemicalSubstance
    range: Concentration
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_ph_value:
    name: has_ph_value
    description: The slot to provide the PHValue of a ChemicalSubstance.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_ph_value
    owner: ChemicalSubstance
    domain_of:
    - ChemicalSubstance
    range: PHValue
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  composed_of:
    name: composed_of
    description: The slot to provide the chemical entities of which a ChemicalSubstance
      is composed of.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    close_mappings:
    - AFX:0000940
    rank: 1000
    is_a: has_part
    slot_uri: BFO:0000051
    alias: composed_of
    owner: ChemicalSubstance
    domain_of:
    - ChemicalSubstance
    range: ChemicalEntity
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_molar_equivalent:
    name: has_molar_equivalent
    description: A slot to provide the MolarEquivalent of a ChemicalSubstance, such
      as the DissolvingSubstance, Starting Material or Reactant, within the context
      of a chemical reaction.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_molar_equivalent
    owner: ChemicalSubstance
    domain_of:
    - ChemicalSubstance
    - StartingMaterial
    - Reagent
    - Catalyst
    range: MolarEquivalent
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_amount:
    name: has_amount
    description: The slot to provide the AmountConcentration of a ChemicalSubstance.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_amount
    owner: ChemicalSubstance
    domain_of:
    - ChemicalSubstance
    range: AmountOfSubstance
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_percentage_of_total:
    name: has_percentage_of_total
    description: A slot to specify the percentage of a specific ChemicalSubstance
      in relation to the total amount of that same substance used across a multi-step
      reaction.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_percentage_of_total
    owner: ChemicalSubstance
    domain_of:
    - ChemicalSubstance
    - DissolvingSubstance
    range: PercentageOfTotal
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  alternative_label:
    name: alternative_label
    description: The slot to specify an alternative label, name or title for a MaterialEntity.
    todos:
    - Should probably rather declared on Entity or in some common metadata mixin instead.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    slot_uri: skos:altLabel
    alias: alternative_label
    owner: ChemicalSubstance
    domain_of:
    - Materialistic
    range: string
  has_physical_state:
    name: has_physical_state
    description: The slot to specify the physical state of a MaterialEntity.
    todos:
    - Find out how to make this a subproperty of has_qualitative_attribute, as it
      currently throws the error 'physical_state enumerations cannot be inlined' due
      to the fact that we are using an enum here.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    slot_uri: SIO:000008
    alias: has_physical_state
    owner: ChemicalSubstance
    domain_of:
    - Materialistic
    range: PhysicalStateEnum
    multivalued: false
    inlined: false
  has_temperature:
    name: has_temperature
    description: The slot to provide the Temperature of a MaterialEntity.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_temperature
    owner: ChemicalSubstance
    domain_of:
    - Materialistic
    - ChemicalReaction
    range: Temperature
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_mass:
    name: has_mass
    description: The slot to provide the Mass of a MaterialEntity.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_mass
    owner: ChemicalSubstance
    domain_of:
    - Materialistic
    range: Mass
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_volume:
    name: has_volume
    description: The slot to provide the Volume of a MaterialEntity.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_volume
    owner: ChemicalSubstance
    domain_of:
    - Materialistic
    range: Volume
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_density:
    name: has_density
    description: The slot to provide the Density of a MaterialEntity.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_density
    owner: ChemicalSubstance
    domain_of:
    - Materialistic
    range: Density
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_pressure:
    name: has_pressure
    description: The slot to provide the Pressure of a MaterialEntity.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_pressure
    owner: ChemicalSubstance
    domain_of:
    - Materialistic
    - ChemicalReaction
    range: Pressure
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  title:
    name: title
    description: The slot to provide a title for the Entity.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    slot_uri: dcterms:title
    alias: title
    owner: ChemicalSubstance
    domain_of:
    - Activity
    - AgenticEntity
    - Any
    - Attribution
    - Catalogue
    - CatalogueRecord
    - ChecksumAlgorithm
    - Concept
    - ConceptScheme
    - DataService
    - Dataset
    - DatasetSeries
    - DefinedTerm
    - Distribution
    - Document
    - Entity
    - Frequency
    - Geometry
    - Identifier
    - LegalResource
    - LicenseDocument
    - LinguisticSystem
    - MediaType
    - MediaTypeOrExtent
    - PeriodOfTime
    - Plan
    - Policy
    - ProvenanceStatement
    - QualitativeAttribute
    - QuantitativeAttribute
    - Resource
    - RightsStatement
    - Role
    - Standard
    - SupportiveEntity
    - Surrounding
    - TimeInstant
    range: string
  description:
    name: description
    description: The slot to provide a description for the Entity.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    slot_uri: dcterms:description
    alias: description
    owner: ChemicalSubstance
    domain_of:
    - Activity
    - AgenticEntity
    - Any
    - Attribution
    - Catalogue
    - CatalogueRecord
    - ChecksumAlgorithm
    - Concept
    - ConceptScheme
    - DataService
    - Dataset
    - DatasetSeries
    - Distribution
    - Document
    - Entity
    - Frequency
    - Geometry
    - Identifier
    - LegalResource
    - LicenseDocument
    - LinguisticSystem
    - MediaType
    - MediaTypeOrExtent
    - PeriodOfTime
    - Plan
    - Policy
    - ProvenanceStatement
    - QualitativeAttribute
    - QuantitativeAttribute
    - Resource
    - RightsStatement
    - Role
    - Standard
    - SupportiveEntity
    - Surrounding
    - TimeInstant
    range: string
  id:
    name: id
    description: A slot to provide an URI for an entity within this schema.
    in_subset:
    - domain_agnostic_core
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    identifier: true
    alias: id
    owner: ChemicalSubstance
    domain_of:
    - Activity
    - AgenticEntity
    - Dataset
    - DefinedTerm
    - Document
    - Entity
    - LegalResource
    - LicenseDocument
    - Resource
    range: uriorcurie
    required: true
  other_identifier:
    name: other_identifier
    description: A slot to provide a secondary identifier of the Entity.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    slot_uri: adms:identifier
    alias: other_identifier
    owner: ChemicalSubstance
    domain_of:
    - Activity
    - AgenticEntity
    - Dataset
    - Entity
    range: Identifier
    required: false
    multivalued: true
    inlined_as_list: true
  has_qualitative_attribute:
    name: has_qualitative_attribute
    description: The slot to relate a qualitative attribute to an EvaluatedEntity,
      EvaluatedActivity or AgenticEntity
    in_subset:
    - domain_agnostic_core
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    slot_uri: dcterms:relation
    alias: has_qualitative_attribute
    owner: ChemicalSubstance
    domain_of:
    - Activity
    - AgenticEntity
    - Entity
    range: QualitativeAttribute
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_quantitative_attribute:
    name: has_quantitative_attribute
    description: The slot to relate a quantitative attribute to an EvaluatedEntity,
      EvaluatedActivity or AgenticEntity
    in_subset:
    - domain_agnostic_core
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    slot_uri: dcterms:relation
    alias: has_quantitative_attribute
    owner: ChemicalSubstance
    domain_of:
    - Activity
    - AgenticEntity
    - Entity
    range: QuantitativeAttribute
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_part:
    name: has_part
    description: The slot to provide the parts of a MaterialEntity.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    slot_uri: BFO:0000051
    alias: has_part
    owner: ChemicalSubstance
    domain_of:
    - Activity
    - AgenticEntity
    - Catalogue
    - Entity
    range: MaterialEntity
    recommended: true
    multivalued: true
    inlined_as_list: true
  part_of:
    name: part_of
    description: The slot to specify an Entity of which the Entity is a part.
    notes:
    - not in DCAT-AP
    in_subset:
    - domain_agnostic_core
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    slot_uri: dcterms:isPartOf
    alias: part_of
    owner: ChemicalSubstance
    domain_of:
    - Activity
    - AgenticEntity
    - Entity
    inverse: has_part
    range: Entity
    multivalued: true
    inlined_as_list: true
  type:
    name: type
    description: This slot is described in more detail within the class in which it
      is used.
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    slot_uri: dcterms:type
    alias: type
    owner: ChemicalSubstance
    domain_of:
    - Agent
    - ClassifierMixin
    - Dataset
    - LicenseDocument
    range: DefinedTerm
    inlined: true
  rdf_type:
    name: rdf_type
    description: The slot to specify the ontology class that is instantiated by an
      entity.
    in_subset:
    - domain_agnostic_core
    from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry
    rank: 1000
    slot_uri: rdf:type
    alias: rdf_type
    owner: ChemicalSubstance
    domain_of:
    - ClassifierMixin
    range: DefinedTerm
    recommended: true
    inlined: true
class_uri: CHEBI:59999