Gly-DL-Asp

cas:79731-35-4 chemically defined MAPPED CHEBI SYNONYM_MATCH

Ontology mapping

Primary identifier
cas:79731-35-4
Ontology term
CHEBI:193741 — Glycyl-Aspartate
Ontology label
Glycyl-Aspartate

Synonyms (1)

SynonymTypeSourceOccurrences
2-[(2-aminoacetyl)amino]butanedioic acid EXACT_SYNONYM chebi_synonym_review

Chemical properties

Cas rn
79731-35-4
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C6H10N2O5
Smiles
C(C(C(=O)O)NC(=O)CN)C(=O)O
Inchi
InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)
Pubchem cid
273261

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 79731-35-4 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). FEBA/Hans80 panels: FEBA_carbon, FEBA_nitrogen. Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via CHEBI via PubChem (pubchem-xref)

Parent class identified via pubchem-xref; matched_via='pubchem CID 273261'

DATABASE_MATCH via MIM curation (#326)

mapping_quality NARROW_MATCH -> SYNONYM_MATCH. The recorded molecular_formula is identical to CHEBI:193741's, and a 'parent' with an identical formula is not a parent — BACKFILL_PARENT_CHEBI found the term via a PubChem xref and filed it as one. Identity confirmed by InChIKey (SCCPDJAQCXWPTF-UHFFFAOYSA-N): the record's own cas_rn, written from CultureBotHT compounds_to_cas.csv at creation and so independent of this mapping, resolves in PubChem to the same key ChEBI records for the term. ontology_id is unchanged.

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:51:33.117170+00:00 audit_add_remaining_culturebotht CREATED_FROM_CAS_FALLBACK MAPPED Created with cas:79731-35-4 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:33.813106+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:53:18.475623+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C6H10N2O5; smiles=C(C(C(=O)O)NC(=O)CN)C(=O)O; inchi=InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/
2026-05-02T03:12:14.738756+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:48:46.627325+00:00 backfill_parent_terms BACKFILL_PARENT_CHEBI set ontology_mapping parent=CHEBI:193741 (pubchem-xref)
2026-08-13T00:00:00+00:00 regrade_identical_formula_parents REGRADED_PARENT_TO_IDENTITY mapping_quality NARROW_MATCH -> SYNONYM_MATCH (#326); the narrowMatch parent is the same substance, confirmed by InChIKey via the record's own CAS.