Ontology mapping
- Primary identifier
-
CHEBI:46645 - Ontology label
- isobutanol
Synonyms (2)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 2-methylpropan-1-ol | EXACT_SYNONYM | chebi_synonym_review | |
| Iso-butanol | RAW_TEXT | microbedecoder |
Chemical properties
- Cas rn
- 78-83-1
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:34:31.158938+00:00
- Molecular formula
- C4H10O
- Inchi
- InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
- Smiles
- CC(C)CO
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:34:31.158938+00:00 | audit_cas_chebi_followup | CREATED_FROM_CAS_LOOKUP | MAPPED | Created from CultureBotHT CAS-RN=78-83-1; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:34.087513+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:30.077736+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C4H10O; inchi=InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3; smiles=CC(C)CO | |
| 2026-05-02T03:12:15.146369+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-08-05T02:38:57.872251+00:00 | edison-residual-research LLM | MERGED_FROM_UNMAPPED_DUPLICATE | Absorbed UNMAPPED_0760 'Iso-butanol' as a RAW_TEXT synonym -- isobutanol and isobutyl alcohol are the same compound. No new SSSOM row; CHEBI:46645 is already mapped. Source: kgmicrobe.compound:iso_butanol. | |
| 2026-08-24T00:00:00+00:00 | regrade_synonym_matches | REGRADED_TO_CAS_RN_LOOKUP | mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP (#317). The record was created by an explicit CAS-to-ChEBI lookup and its current CAS RN 78-83-1 uniquely resolves by ChEBI xref to CHEBI:46645 'isobutanol'. CAS_RN_LOOKUP records the method that established this mapping; a lexical grade would discard that provenance. ontology_id is unchanged. The own-identifier SSSOM predicate remains skos:exactMatch under Rule D (#438), independently of mapping quality. |