Ontology mapping
- Primary identifier
-
cas:145224-92-6 - Ontology term
-
CHEBI:9177— sodium deoxycholate - Ontology label
- sodium deoxycholate
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Sodim deoxycholate monohydrate | EXACT_SYNONYM | culturebotht |
Rejected enrichment labels (1)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Cas rn
- 145224-92-6
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C24H41NaO5
- Smiles
- CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O.[Na+]
- Inchi
- InChI=1S/C24H40O4.Na.H2O/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);;1H2/q;+1;/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;;/m1../s1
- Pubchem cid
- 23679071
Evidence (3)
Imported from CultureBotHT. CAS-RN 145224-92-6 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). FEBA/Hans80 panels: Hans80metals. Curator can promote to a CHEBI primary if/when CHEBI adds the term.
Parent class identified via stem-substring; matched_via='Sodium deoxycholate monohydrate'
mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:9177 ('sodium deoxycholate') — 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:145224-92-6 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:36.245453+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:55:14.482553+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C24H41NaO5; smiles=CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O; inchi=InChI=1S/C24H40O4.Na.H2O/c1-14(4-9-22(27)28)18-7-8 | |
| 2026-05-02T03:12:18.361860+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T05:00:40.355835+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:9177 (stem-substring) | |
| 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. | |
| 2026-09-22T20:41:14.285965+00:00 | claude LLM | REJECTED_PARENT_NAME_SYNONYMS | Retyped names of the parent compound or of a different hydrate as provenance-only REJECTED_LABEL, because this record is a distinct salt, hydrate or tombstone form and the label index resolved the parent's name here (#232): 'sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate'. Preserved original text and source metadata. No identity, mapping, role, or remaining-synonym claim was adjudicated. |