EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C44H85NO2 |
| Net Charge | 0 |
| Average Mass | 660.169 |
| Monoisotopic Mass | 659.65803 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](O)/C=C/CCCCCCCCCCCCC |
| InChI | InChI=1S/C44H85NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-44(47)45-42(3)43(46)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2/h18-19,38,40,42-43,46H,4-17,20-37,39,41H2,1-3H3,(H,45,47)/b19-18-,40-38+/t42-,43+/m0/s1 |
| InChIKey | GHGJVVBDBDHPTP-FNBOWXFPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cer(m18:1(4E)/26:1(17Z)) (CHEBI:186549) is a fatty amide (CHEBI:29348) |
| IUPAC Name |
|---|
| (Z)-N-[(E,2S,3R)-3-hydroxyoctadec-4-en-2-yl]hexacos-17-enamide |
| Manual Xrefs | Databases |
|---|---|
| LMSP00000011 | LIPID MAPS |
| 113381077 | ChemSpider |