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CHEBI:171612 - PE-NMe(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
| Formula | C44H78NO8P |
| Net Charge | 0 |
| Average Mass | 780.081 |
| Monoisotopic Mass | 779.54651 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCNC |
| InChI | InChI=1S/C44H78NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45-3)40-50-43(46)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2/h12,14-15,17-19,21-22,25,27,42,45H,4-11,13,16,20,23-24,26,28-41H2,1-3H3,(H,48,49)/b14-12-,17-15-,19-18-,22-21-,27-25- |
| InChIKey | SLVINMVQUXXCMT-QBMCWAHBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | 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(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:171612) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0113078 | HMDB |
| 74849951 | ChemSpider |