5-Keto-D-Gluconic Acid potassium salt

Ontology mapping

Primary identifier: cas:91446-96-7
Ontology term: CHEBI:17426 — 5-dehydro-D-gluconic acid
Ontology label: 5-dehydro-D-gluconic acid

Nutritional roles

Role
CARBON_SOURCE
Confidence
0.8
Evidence
- Reference type
  COMPUTATIONAL_PREDICTION
  Reference text
  Inferred from curated media-role name pattern
  Curator note
  Provisional role from a curated name-pattern rule; review recommended.
Role
ENERGY_SOURCE
Confidence
0.7
Evidence
- Reference type
  COMPUTATIONAL_PREDICTION
  Reference text
  Canonical energy substrate (catabolised for energy)
  Curator note
  Provisional ENERGY_SOURCE added alongside CARBON_SOURCE; review recommended.

Synonyms (1)

Synonym	Type	Source	Occurrences
5-Ketogluconate (5-dehydro-D-gluconate)	RAW_TEXT	sssom_other_backfill

Chemical properties

Cas rn: 91446-96-7
Data source: CultureBotHT compounds_to_cas.csv
Retrieval date: 2026-04-29T06:51:33.117170+00:00
Molecular formula: C6H9KO7
Smiles: C(C(=O)C(C(C(C(=O)[O-])O)O)O)O.[K+]
Inchi: InChI=1S/C6H10O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-5,7,9-11H,1H2,(H,12,13);/q;+1/p-1/t3-,4+,5-;/m1./s1
Pubchem cid: 23702137

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 91446-96-7 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). FEBA/Hans80 panels: FEBA_carbon. 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='5-Keto-D-Gluconic Acid potassium salt'

DATABASE_MATCH via MIM curation (#322)

narrowMatch parent CHEBI:26218 ('potassium salt') -> CHEBI:17426 ('5-dehydro-D-gluconic acid'). The previous parent was the class of all potassium salts: it retained the counterion and discarded the compound, collapsing unrelated ingredients onto one node. Chosen because it is the acid the label names. The record stays cas-primary per MAPPING_SEMANTICS §3 step 2; only the parent moves.

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:91446-96-7 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:31.957836+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:51:31.909237+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_PUBCHEM_CHEMISTRY		molecular_formula=C6H9KO7; smiles=C(C(=O)C(C(C(C(=O)[O-])O)O)O)O.[K+]; inchi=InChI=1S/C6H10O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;
2026-05-02T03:12:12.165641+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:38:39.254345+00:00	backfill_parent_terms	BACKFILL_PARENT_CHEBI		set ontology_mapping parent=CHEBI:26218 (stem-substring)
2026-06-03T03:22:14.580194+00:00	infer_roles_from_name_lists	ANNOTATED		Added media role: CARBON_SOURCE (confidence: 0.80)
2026-06-04T05:38:59.200367+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
2026-08-13T00:00:00+00:00	reground_compositional_classes	REGROUNDED_PARENT_TERM		ontology_mapping CHEBI:26218 'potassium salt' -> CHEBI:17426 '5-dehydro-D-gluconic acid' (#322); the acid the label names.
2026-09-02T17:40:44.716277+00:00	claude_sssom_surface_form_backfill	ADDED_SYNONYMS		Recovered 1 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: '5-Ketogluconate (5-dehydro-D-gluconate)'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520).