EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C40H78NO8P |
| Net Charge | 0 |
| Average Mass | 732.037 |
| Monoisotopic Mass | 731.54651 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCNC |
| InChI | InChI=1S/C40H78NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41-3)36-46-39(42)32-30-28-26-24-22-15-13-11-9-7-5-2/h17-18,38,41H,4-16,19-37H2,1-3H3,(H,44,45)/b18-17- |
| InChIKey | FWPUEOCHKWEWBQ-ZCXUNETKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE-NMe(14:0/20:1(11Z)) (CHEBI:171074) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 74849832 | ChemSpider |
| HMDB0112958 | HMDB |