Ontology mapping
- Primary identifier
-
cas:100683-54-3 - Ontology term
-
CHEBI:51992— tetrabutylammonium salt - Ontology label
- tetrabutylammonium salt
Chemical properties
- Cas rn
- 100683-54-3
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C19H39NO2
- Smiles
- CCCC[N+](CCCC)(CCCC)CCCC.C(=C[O-])C=O
- Inchi
- InChI=1S/C16H36N.C3H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4-2-1-3-5/h5-16H2,1-4H3;1-4H/q+1;/p-1/b;2-1+
- Pubchem cid
- 13707375
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 100683-54-3 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 OLS (stem-substring)
Parent class identified via stem-substring; matched_via='Malondialdehyde tetrabutylammonium salt'
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:100683-54-3 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:34.596552+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:53:59.644514+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C19H39NO2; smiles=CCCC[N+](CCCC)(CCCC)CCCC.C(=C[O-])C=O; inchi=InChI=1S/C16H36N.C3H4O2/c1-5-9-13-17(14-10-6-2,15- | |
| 2026-05-02T03:12:16.138971+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:51:54.949083+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:51992 (stem-substring) |