2-oxobutyric acid sodium salt

Ontology mapping

Primary identifier: cas:2013-26-5
Ontology term: CHEBI:30831 — 2-oxobutanoic acid
Ontology label: 2-oxobutanoic acid

Synonyms (1)

Synonym	Type	Source	Occurrences
Sodium 2-oxobutyrate	EXACT_SYNONYM	culturebotht

Chemical properties

Cas rn: 2013-26-5
Data source: CultureBotHT compounds_to_cas.csv
Retrieval date: 2026-04-29T06:51:33.117170+00:00

Evidence (4)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 2013-26-5 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via CHEBI via OLS (stem-substring)

Parent class identified via stem-substring; matched_via='2-oxobutyric acid sodium salt'

DATABASE_MATCH via MIM curation (#322)

SUPERSEDED (#312): narrowMatch parent CHEBI:26714 ('sodium salt') -> CHEBI:16763 ('2-oxobutanoate'). The previous parent was the class of all sodium salts: it retained the counterion and discarded the compound, collapsing unrelated ingredients onto one node. Chosen because it is ChEBI has no '2-oxobutanoic acid' term, so the anion is the nearest available parent for the sodium salt. The record stays cas-primary per MAPPING_SEMANTICS §3 step 2; only the parent moves.

MANUAL_CURATION via MIM curation (#312); chebi.db

parent CHEBI:16763 ('2-oxobutanoate') -> CHEBI:30831 ('2-oxobutanoic acid'). Section 3: for a salt the broadMatch parent follows the label, and '...Acid sodium salt' names the acid. The #322 note said ChEBI has no '2-oxobutanoic acid' term; it does: CHEBI:30831, xref cas:600-18-0, synonym '2-Oxobutyric acid'. The anion CHEBI:16763 was the fallback for a false premise. cas: identity unchanged.

Occurrence statistics

Total occurrences: 0
Distinct media: 0

Curation history

Timestamp	Curator	Action	New status	Changes
2026-04-29T06:51:33.117170+00:00	audit_add_remaining_culturebotht	CREATED_FROM_CAS_FALLBACK	MAPPED	Created with cas:2013-26-5 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:31.770406+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T03:12:11.904807+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T04:37:05.511022+00:00	backfill_parent_terms	BACKFILL_PARENT_CHEBI		set ontology_mapping parent=CHEBI:26714 (stem-substring)
2026-08-13T00:00:00+00:00	reground_compositional_classes	REGROUNDED_PARENT_TERM		ontology_mapping CHEBI:26714 'sodium salt' -> CHEBI:16763 '2-oxobutanoate' (#322); ChEBI has no '2-oxobutanoic acid' term, so the anion is the nearest available parent for the sodium salt.
2026-09-22T23:25:51.023682+00:00	claude LLM	REGROUNDED_PARENT_TERM	MAPPED	broadMatch parent CHEBI:16763 ('2-oxobutanoate') -> CHEBI:30831 ('2-oxobutanoic acid') (#312). Section 3: for a salt the broadMatch parent follows the label, and '...Acid sodium salt' names the acid. The #322 note said ChEBI has no '2-oxobutanoic acid' term; it does: CHEBI:30831, xref cas:600-18-0, synonym '2-Oxobutyric acid'. The anion CHEBI:16763 was the fallback for a false premise. cas: identity unchanged.