Class: isomerase reaction (IsomeraseReaction)
A reaction that converts a molecule from one isomer to another.
URI: chemrof:IsomeraseReaction
classDiagram
class IsomeraseReaction
click IsomeraseReaction href "../IsomeraseReaction"
Reaction <|-- IsomeraseReaction
click Reaction href "../Reaction"
IsomeraseReaction : has_reaction_smiles_representation
IsomeraseReaction : has_rinchi_representation
IsomeraseReaction : id
IsomeraseReaction : name
IsomeraseReaction : reaction_rate
IsomeraseReaction : reaction_rate_coefficient
IsomeraseReaction : type
Inheritance
- DomainEntity
- Reaction
- IsomeraseReaction
- Reaction
Slots
Name | Cardinality and Range | Description | Inheritance |
---|---|---|---|
has_rinchi_representation | 0..1 ChemicalEncoding |
Proposed Reactions InChI | Reaction |
has_reaction_smiles_representation | 0..1 ChemicalEncoding |
Reaction | |
reaction_rate_coefficient | 0..1 Float |
Reaction | |
reaction_rate | 0..1 Float |
Reaction | |
id | 1 String |
DomainEntity | |
name | 0..1 String |
name of chemical entity | DomainEntity |
type | 0..1 Uriorcurie |
DomainEntity |
TODOs
- create rules for this
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/chemrof
Mappings
Mapping Type | Mapped Value |
---|---|
self | chemrof:IsomeraseReaction |
native | chemrof:IsomeraseReaction |
LinkML Source
Direct
name: IsomeraseReaction
description: A reaction that converts a molecule from one isomer to another.
title: isomerase reaction
todos:
- create rules for this
from_schema: https://w3id.org/chemrof
is_a: Reaction
Induced
name: IsomeraseReaction
description: A reaction that converts a molecule from one isomer to another.
title: isomerase reaction
todos:
- create rules for this
from_schema: https://w3id.org/chemrof
is_a: Reaction
attributes:
has_rinchi_representation:
name: has_rinchi_representation
description: Proposed Reactions InChI
title: has rinchi representation
comments:
- A half-reaction, such as a RInChI with starting materials and no identified
products, is a valid RInChI
examples:
- value: RInChI=1.00.1S /layer2<>layer3<>layer4/d+/u2-0-1
- value: 'C2H4O2/c1-2(3)4/h1H3,(H,3,4)!C2H6O/c1-2-3/h3H,2H2,1H3<>C4H8O2/c1-3-6-4(2)5/h3H2,1-
2H3!H2O/h1H2<>H2O4S/c1-5(2,3)4/h(H2,1,2,3,4):'
description: hydrolysis of ethyl acetate
from_schema: https://w3id.org/chemrof
see_also:
- https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0277-8
aliases:
- RInChi
rank: 1000
is_a: chemical_formula
domain: ChemicalEntity
alias: has_rinchi_representation
owner: IsomeraseReaction
domain_of:
- Reaction
range: ChemicalEncoding
has_reaction_smiles_representation:
name: has_reaction_smiles_representation
title: has reaction smiles representation
from_schema: https://w3id.org/chemrof
aliases:
- reaction SMILES
rank: 1000
is_a: chemical_formula
domain: ChemicalEntity
alias: has_reaction_smiles_representation
owner: IsomeraseReaction
domain_of:
- Reaction
range: ChemicalEncoding
reaction_rate_coefficient:
name: reaction_rate_coefficient
title: reaction rate coefficient
from_schema: https://w3id.org/chemrof
aliases:
- reaction rate constant
rank: 1000
alias: reaction_rate_coefficient
owner: IsomeraseReaction
domain_of:
- Reaction
range: float
reaction_rate:
name: reaction_rate
title: reaction rate
from_schema: https://w3id.org/chemrof
aliases:
- v
rank: 1000
alias: reaction_rate
owner: IsomeraseReaction
domain_of:
- Reaction
range: float
unit:
symbol: mol⋅m-3⋅s-1
id:
name: id
title: id
from_schema: https://w3id.org/chemrof
mappings:
- schema:identifier
rank: 1000
is_a: information_property
identifier: true
alias: id
owner: IsomeraseReaction
domain_of:
- DomainEntity
- GroupingClass
- ChemicalGroupingClass
range: string
required: true
name:
name: name
description: name of chemical entity. E.g. nickel, carbon-16
title: name
from_schema: https://w3id.org/chemrof
close_mappings:
- bo:symbol
rank: 1000
is_a: information_property
slot_uri: rdfs:label
alias: name
owner: IsomeraseReaction
domain_of:
- DomainEntity
- GroupingClass
- Atom
- AtomOccurrence
range: string
type:
name: type
title: type
from_schema: https://w3id.org/chemrof
rank: 1000
designates_type: true
alias: type
owner: IsomeraseReaction
domain_of:
- DomainEntity
range: uriorcurie