EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H42NO4 |
| Net Charge | +1 |
| Average Mass | 396.592 |
| Monoisotopic Mass | 396.31084 |
| SMILES | CCCCCCCC/C=C\C/C=C/CCC(=O)OC(CC(=O)O)C[N+](C)(C)C |
| InChI | InChI=1S/C23H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h12-13,15-16,21H,5-11,14,17-20H2,1-4H3/p+1/b13-12-,16-15+ |
| InChIKey | DPIJSJWXUXNTJD-OFXORYEXSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | MetaboLights (MTBLS8662) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CAR 16:2 (CHEBI:228644) is a O-acylcarnitine (CHEBI:17387) |
| IUPAC Name |
|---|
| [3-carboxy-2-[(4E,7Z)-hexadeca-4,7-dienoyl]oxypropyl]-trimethylazanium |