Ontology mapping
- Primary identifier
-
CHEBI:3567 - Ontology label
- cetyltrimethylammonium bromide
Physicochemical roles
- Role
- SURFACTANT
- Confidence
- 0.7
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Inferred from CHEBI ancestry: subclass/has_role of CHEBI:35195 (surfactant (role))
- Curator note
- Provisional role inferred from CHEBI is_a/has_role closure; review recommended.
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| N,N,N-trimethylhexadecan-1-aminium bromide | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 57-09-0
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:34:31.158938+00:00
- Molecular formula
- Br.C19H42N
- Inchi
- InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
- Smiles
- CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
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=57-09-0; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:32.733381+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:28.565565+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=Br.C19H42N; inchi=InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-1; smiles=CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-] | |
| 2026-05-02T03:12:13.291284+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-14T06:54:43.053679+00:00 | infer_roles_from_chebi_ancestry | ANNOTATED | Added media role: SURFACTANT (confidence: 0.70) | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): SURFACTANT -> physicochemical_roles.SURFACTANT | |
| 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 57-09-0 uniquely resolves by ChEBI xref to CHEBI:3567 'cetyltrimethylammonium bromide'. 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. |