Class: Metabolite

URI: edd:Metabolite

classDiagram class Metabolite click Metabolite href "../Metabolite" Metabolite : carbon_count Metabolite : charge Metabolite : db_instance Metabolite --> "0..1" DbInstanceEnum : db_instance click DbInstanceEnum href "../DbInstanceEnum" Metabolite : id_map Metabolite : measurementtype_ptr_id Metabolite : molar_mass Metabolite : molecular_formula Metabolite : pubchem_cid Metabolite : smiles Metabolite : tags Metabolite --> "*" TagsEnum : tags click TagsEnum href "../TagsEnum"

Slots

Name	Cardinality and Range	Inheritance
measurementtype_ptr_id	0..1 Integer	direct
charge	0..1 Integer	direct
carbon_count	0..1 Integer	direct
molar_mass	0..1 Float	direct
molecular_formula	0..1 String	direct
tags	* TagsEnum	direct
id_map	* String	direct
smiles	0..1 String	direct
pubchem_cid	0..1 Integer	direct
db_instance	0..1 DbInstanceEnum	direct

Identifier and Mapping Information

Schema Source

from schema: https://w3id.org/edd

Mappings

Mapping Type	Mapped Value
self	edd:Metabolite
native	edd:Metabolite

LinkML Source

Direct

name: Metabolite
from_schema: https://w3id.org/edd
slots:
- measurementtype_ptr_id
- charge
- carbon_count
- molar_mass
- molecular_formula
- tags
- id_map
- smiles
- pubchem_cid
- db_instance

Induced

name: Metabolite
from_schema: https://w3id.org/edd
attributes:
  measurementtype_ptr_id:
    name: measurementtype_ptr_id
    examples:
    - value: '260597'
    from_schema: https://w3id.org/edd
    rank: 1000
    alias: measurementtype_ptr_id
    owner: Metabolite
    domain_of:
    - gene_identifier
    - Metabolite
    - ProteinIdentifier
    range: integer
  charge:
    name: charge
    examples:
    - value: '0'
    from_schema: https://w3id.org/edd
    rank: 1000
    alias: charge
    owner: Metabolite
    domain_of:
    - Metabolite
    range: integer
  carbon_count:
    name: carbon_count
    examples:
    - value: '6'
    from_schema: https://w3id.org/edd
    rank: 1000
    alias: carbon_count
    owner: Metabolite
    domain_of:
    - Metabolite
    range: integer
  molar_mass:
    name: molar_mass
    examples:
    - value: '113.16000'
    from_schema: https://w3id.org/edd
    rank: 1000
    alias: molar_mass
    owner: Metabolite
    domain_of:
    - Metabolite
    range: float
  molecular_formula:
    name: molecular_formula
    examples:
    - value: C6H11NO
    from_schema: https://w3id.org/edd
    rank: 1000
    alias: molecular_formula
    owner: Metabolite
    domain_of:
    - Metabolite
    range: string
  tags:
    name: tags
    examples:
    - value: needs-validation
    from_schema: https://w3id.org/edd
    rank: 1000
    multivalued: true
    alias: tags
    owner: Metabolite
    domain_of:
    - Metabolite
    range: tags_enum
  id_map:
    name: id_map
    examples:
    - value: CHEBI:CHEBI:16608|KEGG Compound:C03845|CHEBI:CHEBI:2139|Human Metabolome
        Database:HMDB06841|MetaNetX (MNX) Chemical:MNXM2494|Human Metabolome Database:HMDB06541|LipidMaps:LMST01010096|BioCyc:META:CPD-8621|CHEBI:CHEBI:12170|CHEBI:CHEBI:20645|SEED
        Compound:cpd02398|Human Metabolome Database:HMDB59618
    from_schema: https://w3id.org/edd
    rank: 1000
    multivalued: true
    alias: id_map
    owner: Metabolite
    domain_of:
    - Metabolite
    range: string
  smiles:
    name: smiles
    examples:
    - value: C1CCC(=O)NCC1
    from_schema: https://w3id.org/edd
    rank: 1000
    alias: smiles
    owner: Metabolite
    domain_of:
    - Metabolite
    range: string
  pubchem_cid:
    name: pubchem_cid
    examples:
    - value: '7768'
    from_schema: https://w3id.org/edd
    rank: 1000
    alias: pubchem_cid
    owner: Metabolite
    domain_of:
    - Metabolite
    range: integer
  db_instance:
    name: db_instance
    examples:
    - value: metadata_plus.jbei.sql
    from_schema: https://w3id.org/edd
    rank: 1000
    alias: db_instance
    owner: Metabolite
    domain_of:
    - gene_identifier
    - MeasurementType
    - MeasurementUnit
    - Metabolite
    - MetadataType
    - ProteinIdentifier
    - ProteinStrain
    - Protocol
    - Strain
    range: db_instance_enum