Ontology mapping
- Primary identifier
-
cas:1030365-02-6 - Ontology term
-
CHEBI:15584— citramalic acid - Ontology label
- citramalic acid
Chemical properties
- Cas rn
- 1030365-02-6
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C5H6K2O5
- Smiles
- CC(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+]
- Inchi
- InChI=1S/C5H8O5.2K/c1-5(10,4(8)9)2-3(6)7;;/h10H,2H2,1H3,(H,6,7)(H,8,9);;/q;2*+1/p-2
- Pubchem cid
- 16211775
Evidence (3)
Imported from CultureBotHT. CAS-RN 1030365-02-6 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.
potassium citramalate monohydrate is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:15584 'citramalic acid' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. potassium salt monohydrate of citramalic acid
mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:15584 ('citramalic 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
- 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:1030365-02-6 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:35.869339+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:54:38.385291+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C5H6K2O5; smiles=CC(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+]; inchi=InChI=1S/C5H8O5.2K/c1-5(10,4(8)9)2-3(6)7;;/h10H,2H | |
| 2026-05-02T03:12:17.855004+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-08-05T18:02:35.008352+00:00 | anchor_cas_hydrate_records LLM | CORRECTED | Added Section 3 anchor rows: narrowMatch CHEBI:15584 'citramalic acid' and registry kgmicrobe.compound:potassium_citramalate_monohydrate. identifier cas:1030365-02-6 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. potassium salt monohydrate of citramalic 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. |