Ontology mapping
- Primary identifier
-
cas:461-06-3 - Ontology term
-
CHEBI:17126— carnitine - Ontology label
- carnitine
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 3-hydroxy-4-(trimethylammonio)butanoate | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 461-06-3
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C7H15NO3
- Smiles
- C[N+](C)(C)CC(CC(=O)[O-])O
- Inchi
- InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
- Pubchem cid
- 288
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 461-06-3 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.
DATABASE_MATCH
via CHEBI via PubChem (pubchem-xref)
Parent class identified via pubchem-xref; matched_via='pubchem CID 288'
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:461-06-3 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:32.618472+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:52:14.811667+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C7H15NO3; smiles=C[N+](C)(C)CC(CC(=O)[O-])O; inchi=InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4 | |
| 2026-05-02T03:12:13.116122+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:42:42.396724+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:17126 (pubchem-xref) |