Slot: has rinchi representation (has_rinchi_representation)

Proposed Reactions InChI

URI: chemrof:has_rinchi_representation

Inheritance

• information_property
  • chemical_representation
    • chemical_formula
      • has_rinchi_representation

Applicable Classes

Name	Description	Modifies Slot
IsomeraseReaction	A reaction that converts a molecule from one isomer to another	no
Reaction	Reaction	no

Properties

• Range: ChemicalEncoding

Aliases

• RInChi

Examples

Value
RInChI=1.00.1S /layer2<>layer3<>layer4/d+/u2-0-1
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):

Comments

• A half-reaction, such as a RInChI with starting materials and no identified products, is a valid RInChI

See Also

• https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0277-8

Identifier and Mapping Information

Schema Source

• from schema: https://w3id.org/chemrof

Mappings

Mapping Type	Mapped Value
self	chemrof:has_rinchi_representation
native	chemrof:has_rinchi_representation

LinkML Source

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
domain_of:
- Reaction
range: ChemicalEncoding