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Slot: set of labeled atoms in isotopolog (isotopolog_atom_pos)

InChI label designating set of all isotopically enriched atoms in isotopolog. This slot should be omitted for natural abundance samples

URI: MIXS:0001347

Applicable Classes

Name Description Modifies Slot
IsotopologAddition One isotopolog, or one heterogeneous material with no compound identifier,... no

Properties

  • Range: String

  • Recommended: True

  • Regex pattern: ^InChI=1S?/[^\s/]+(?:/[^\s/i][^\s/]*)*/i(?=[^\s/]*(?:[0-9][+-][0-9]|[0-9][DT])|/h[^\s/]*[DT])[^\s/]*(?:/[^\s/]+)*$

Examples

  • InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1

Identifier and Mapping Information

Schema Source

Mappings

Mapping Type Mapped Value
self MIXS:0001347

LinkML Source

name: isotopolog_atom_pos
description: InChI label designating set of all isotopically enriched atoms in isotopolog.
  This slot should be omitted for natural abundance samples
title: set of labeled atoms in isotopolog
examples:
- value: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1
from_schema: https://w3id.org/nmdc/nmdc
rank: 1000
slot_uri: MIXS:0001347
domain_of:
- IsotopologAddition
range: string
recommended: true
pattern: ^InChI=1S?/[^\s/]+(?:/[^\s/i][^\s/]*)*/i(?=[^\s/]*(?:[0-9][+-][0-9]|[0-9][DT])|/h[^\s/]*[DT])[^\s/]*(?:/[^\s/]+)*$