Class: Molecule

URI: https://w3id.org/kbase/kbase_msd_biochemistry/Molecule

classDiagram class Molecule click Molecule href "../Molecule/" Molecule : abbreviation Molecule : charge Molecule : deltag Molecule : deltagerr Molecule : formula Molecule : id Molecule : inchikey Molecule : mass Molecule : name Molecule : pka Molecule : pkb Molecule : smiles Molecule : source

Slots

Name	Cardinality and Range	Inheritance
abbreviation	0..1 String	direct
charge	0..1 String	direct
deltag	0..1 String	direct
deltagerr	0..1 String	direct
formula	0..1 String	direct
id	1 String	direct
inchikey	0..1 String	direct
mass	0..1 String	direct
name	0..1 String	direct
pka	0..1 String	direct
pkb	0..1 String	direct
smiles	0..1 String	direct
source	0..1 String	direct

Identifier and Mapping Information

Annotations

property	value
source_table	molecule

Schema Source

from schema: https://w3id.org/kbase/kbase_msd_biochemistry

Mappings

Mapping Type	Mapped Value
self	https://w3id.org/kbase/kbase_msd_biochemistry/Molecule
native	https://w3id.org/kbase/kbase_msd_biochemistry/Molecule

LinkML Source

Direct

name: Molecule
annotations:
  source_table:
    tag: source_table
    value: molecule
from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
attributes:
  abbreviation:
    name: abbreviation
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    - Reaction
    range: string
  charge:
    name: charge
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    range: string
  deltag:
    name: deltag
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    - Reaction
    range: string
  deltagerr:
    name: deltagerr
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    - Reaction
    range: string
  formula:
    name: formula
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    range: string
  id:
    name: id
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    identifier: true
    domain_of:
    - Molecule
    - Reaction
    range: string
    required: true
  inchikey:
    name: inchikey
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    range: string
  mass:
    name: mass
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    range: string
  name:
    name: name
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    - Reaction
    range: string
  pka:
    name: pka
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    range: string
  pkb:
    name: pkb
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    range: string
  smiles:
    name: smiles
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    range: string
  source:
    name: source
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    domain_of:
    - Molecule
    - Reaction
    range: string

Induced

name: Molecule
annotations:
  source_table:
    tag: source_table
    value: molecule
from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
attributes:
  abbreviation:
    name: abbreviation
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: abbreviation
    owner: Molecule
    domain_of:
    - Molecule
    - Reaction
    range: string
  charge:
    name: charge
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: charge
    owner: Molecule
    domain_of:
    - Molecule
    range: string
  deltag:
    name: deltag
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: deltag
    owner: Molecule
    domain_of:
    - Molecule
    - Reaction
    range: string
  deltagerr:
    name: deltagerr
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: deltagerr
    owner: Molecule
    domain_of:
    - Molecule
    - Reaction
    range: string
  formula:
    name: formula
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: formula
    owner: Molecule
    domain_of:
    - Molecule
    range: string
  id:
    name: id
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    identifier: true
    alias: id
    owner: Molecule
    domain_of:
    - Molecule
    - Reaction
    range: string
  inchikey:
    name: inchikey
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: inchikey
    owner: Molecule
    domain_of:
    - Molecule
    range: string
  mass:
    name: mass
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: mass
    owner: Molecule
    domain_of:
    - Molecule
    range: string
  name:
    name: name
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: name
    owner: Molecule
    domain_of:
    - Molecule
    - Reaction
    range: string
  pka:
    name: pka
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: pka
    owner: Molecule
    domain_of:
    - Molecule
    range: string
  pkb:
    name: pkb
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: pkb
    owner: Molecule
    domain_of:
    - Molecule
    range: string
  smiles:
    name: smiles
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: smiles
    owner: Molecule
    domain_of:
    - Molecule
    range: string
  source:
    name: source
    from_schema: https://w3id.org/kbase/kbase_msd_biochemistry
    rank: 1000
    alias: source
    owner: Molecule
    domain_of:
    - Molecule
    - Reaction
    range: string