a-Ketoglutaric acid disodium salt hydrate

cas:305-72-6 chemically defined MAPPED CHEBI CLOSE_MATCH

Ontology mapping

Primary identifier
cas:305-72-6
Ontology term
CHEBI:30915 — 2-oxoglutaric acid
Ontology label
2-oxoglutaric acid

Nutritional roles

Rejected enrichment labels (1)

Provenance-only candidates: these are not synonyms and do not resolve to this record.

Rejected labelDispositionSourceOccurrences
a-Ketoglutaric acid REJECTED_LABEL culturebotht

Chemical properties

Cas rn
305-72-6
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C5H4Na2O5
Smiles
C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+]
Inchi
InChI=1S/C5H6O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h1-2H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
Pubchem cid
31040

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 305-72-6 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). FEBA/Hans80 panels: FEBA_carbon. Used in 13 CultureBot media; samples: NLDM_defined_no_iron, NLDM_defined, DinoMM alphaKetoGlutAcid NoNitrogen…. Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via anchor_cas_hydrate_records

a-Ketoglutaric acid disodium salt hydrate is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:30915 '2-oxoglutaric acid' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. disodium salt hydrate of 2-oxoglutaric acid

DATABASE_MATCH via MIM curation (#342)

mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:30915 ('2-oxoglutaric acid') — a subsumption ChEBI itself denies: it files hydrates under CHEBI:35505 'hydrate', never under the anhydrous compound, which is not an ancestor even transitively. A hydrate is a distinct substance containing the anhydrous form, not a specialization of it. closeMatch claims similarity without subsumption. The ontology_id and the record's own identifier are unchanged.

Occurrence statistics

Total occurrences
11
Distinct media
11

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:51:33.117170+00:00 audit_add_remaining_culturebotht CREATED_FROM_CAS_FALLBACK MAPPED Created with cas:305-72-6 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:31.991239+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:51:39.049930+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C5H4Na2O5; smiles=C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+]; inchi=InChI=1S/C5H6O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h1-2H2
2026-05-02T03:12:12.218131+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-06-03T03:22:14.580608+00:00 infer_roles_from_name_lists ANNOTATED Added media role: CARBON_SOURCE (confidence: 0.80)
2026-06-04T05:38:59.200385+00:00 infer_energy_source ANNOTATED Added media role: ENERGY_SOURCE (confidence: 0.70)
2026-07-20T00:00:00+00:00 migrate_media_roles_to_facets ANNOTATED Migrated legacy media_roles to role facets (#128): CARBON_SOURCE -> nutritional_roles.CARBON_SOURCE; ENERGY_SOURCE -> nutritional_roles.ENERGY_SOURCE
2026-08-05T18:02:35.008352+00:00 anchor_cas_hydrate_records LLM CORRECTED Added Section 3 anchor rows: narrowMatch CHEBI:30915 '2-oxoglutaric acid' and registry kgmicrobe.compound:a-ketoglutaric_acid_disodium_salt_hydrate. identifier cas:305-72-6 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. disodium salt hydrate of 2-oxoglutaric acid
2026-08-13T00:00:00+00:00 regrade_hydrate_to_close_match REGRADED_HYDRATE_TO_CLOSE_MATCH mapping_quality NARROW_MATCH -> CLOSE_MATCH (#342); a hydrate is not subsumed by its anhydrous form, and ChEBI does not model it as such.
2026-08-27T03:16:39.518284+00:00 refresh_occurrence_statistics CORRECTED occurrence_statistics 13/13 -> 11/11 (media_count/total_occurrences), derived from distinct CultureMech recipe ids in the #337 occurrence table. The prior values came from the importer retired in #453, whose media_count counted a list truncated to 50 examples (#449). [source=ingredient_occurrences.tsv culturemech_rev=15a4da5c08 rows=194137 distinct_recipes=15257]
2026-09-23T06:21:57.287844+00:00 claude LLM REJECTED_WRONG_FORM_SYNONYMS MAPPED Retyped REJECTED_LABEL: 'a-Ketoglutaric acid' (EXACT_SYNONYM): names the free acid (Alpha-ketoglutaric_Acid holds it), not the disodium salt hydrate (#232). The token is kept as provenance only; it must not resolve, be exported, or enter the SSSOM other column.