Ontology mapping
- Primary identifier
-
CHEBI:16325 - Ontology label
- lithocholic acid
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 3alpha-hydroxy-5beta-cholan-24-oic acid | EXACT_SYNONYM | chebi_synonym_review |
Rejected enrichment labels (4)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| N-(tri(hydroxymethyl)methyl)glycine | REJECTED_LABEL | sssom_other_backfill | |
| N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycine | REJECTED_LABEL | sssom_other_backfill | |
| N-tris(hydroxymethyl)methylglycine | REJECTED_LABEL | sssom_other_backfill | |
| berbaman | REJECTED_LABEL | sssom_other_backfill |
Chemical properties
- Cas rn
- 434-13-9
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C24H40O3
- Inchi
- InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
- Smiles
- [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:04:17.380972+00:00 | audit_integrate_culturebotht | CREATED_FROM_CULTUREBOTHT | MAPPED | Created from CultureBotHT compounds_to_cas.csv (CAS=434-13-9); Imported from CultureBotHT. |
| 2026-05-01T07:35:34.536181+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:30.564559+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C24H40O3; inchi=InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-; smiles=[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([ | |
| 2026-05-02T03:12:15.812058+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 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: 'N-(tri(hydroxymethyl)methyl)glycine'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520). | |
| 2026-09-02T22:41:49.137449+00:00 | claude_sssom_surface_form_backfill | ADDED_SYNONYMS | Recovered 3 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: 'N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycine'; 'N-tris(hydroxymethyl)methylglycine'; 'berbaman'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520). | |
| 2026-09-20T00:00:00Z | retire_wrong_compound_synonyms LLM | CORRECTED | Marked 3 synonym(s) non-resolving: ['N-(tri(hydroxymethyl)methyl)glycine', 'N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycine', 'N-tris(hydroxymethyl)methylglycine']. ChEBI gives these names to CHEBI:39063, not to this record's CHEBI:16325 -- lithocholic acid is not tricine. Kept as REJECTED_LABEL so a rebuild cannot restore them from kg-microbe's synonym list (#669). | |
| 2026-09-20T00:00:00Z | retire_wrong_compound_synonyms LLM | CORRECTED | Marked 1 synonym(s) non-resolving: ['berbaman']. ChEBI gives these names to CHEBI:35920, not to this record's CHEBI:16325 -- lithocholic acid is not berbaman. Kept as REJECTED_LABEL so a rebuild cannot restore them from kg-microbe's synonym list (#669). |