EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C41H80NO7P |
| Net Charge | 0 |
| Average Mass | 730.065 |
| Monoisotopic Mass | 729.56724 |
| SMILES | CCCCCCCC/C=C\CCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C41H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42(3,4)5)38-47-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,33,36,40H,6-19,22-32,34-35,37-39H2,1-5H3/b21-20-,36-33- |
| InChIKey | YPWWLQPIEDWZQI-IMZFPPOWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ovis aries (ncbitaxon:9940) | Rumen (NCIT:C98778) | MetaboLights (MTBLS3683) |
| Roles Classification |
|---|
| Biological Roles: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(15:0/P-18:1(9Z)) (CHEBI:192321) is a diglyceride (CHEBI:18035) |
| IUPAC Name |
|---|
| [2-[(1Z,9Z)-octadeca-1,9-dienoxy]-3-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| 24766639 | ChemSpider |
| HMDB0007964 | HMDB |