EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C36H67NO3 |
| Net Charge | 0 |
| Average Mass | 561.936 |
| Monoisotopic Mass | 561.51210 |
| SMILES | CCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C36H67NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h8,10,17-18,29,31,34-35,38-39H,3-7,9,11-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b10-8-,18-17-,31-29+/t34-,35+/m0/s1 |
| InChIKey | LEFOTTLPBREMDN-UBZMXJSBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2224) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cer(d18:2/18:1) (CHEBI:188302) is a ceramide (CHEBI:17761) |
| IUPAC Name |
|---|
| (Z)-N-[(2S,3R,4E,14Z)-1,3-dihydroxyoctadeca-4,14-dien-2-yl]octadec-9-enamide |
| Manual Xrefs | Databases |
|---|---|
| LMSP02010025 | LIPID MAPS |
| 113381094 | ChemSpider |