EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C40H78NO8P |
| Net Charge | 0 |
| Average Mass | 732.037 |
| Monoisotopic Mass | 731.54651 |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C |
| InChI | InChI=1S/C40H78NO8P/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3)4)36-46-39(42)32-30-28-26-24-22-18-16-14-12-10-8-6-2/h15,17,38H,5-14,16,18-37H2,1-4H3,(H,44,45)/b17-15- |
| InChIKey | HMTCQBSTOUGTHP-ICFOKQHNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE-NMe2(15:0/18:1(11Z)) (CHEBI:171067) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (Z)-octadec-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 74850644 | ChemSpider |
| HMDB0113855 | HMDB |