EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:187592 - Type III cyanolipid 16:0 ester
| Formula | C21H37NO2 |
| Net Charge | 0 |
| Average Mass | 335.532 |
| Monoisotopic Mass | 335.28243 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC/C(C)=C/C#N |
| InChI | InChI=1S/C21H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)24-19-20(2)17-18-22/h17H,3-16,19H2,1-2H3/b20-17+ |
| InChIKey | HJZRCHUQQYFKIM-LVZFUZTISA-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) |
| Type III cyanolipid 16:0 ester (CHEBI:187592) is a fatty acid ester (CHEBI:35748) |
| Type III cyanolipid 16:0 ester (CHEBI:187592) is a nitrile (CHEBI:18379) |
| IUPAC Name |
|---|
| [(E)-3-cyano-2-methylprop-2-enyl] hexadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 113368632 | ChemSpider |
| LMFA07030013 | LIPID MAPS |