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CHEBI:171606 - PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)
| 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\C/C=C\CCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCC |
| InChI | InChI=1S/C44H78NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45-3)53-44(47)37-35-33-31-29-27-24-17-15-13-11-9-7-5-2/h12,14,18-19,21-22,25-26,30,32,42,45H,4-11,13,15-17,20,23-24,27-29,31,33-41H2,1-3H3,(H,48,49)/b14-12-,19-18-,22-21-,26-25-,32-30- |
| InChIKey | TWXWBCLIKZCLLF-ZWJWMKKFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| Homo sapiens (ncbitaxon:9606) | |||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) (CHEBI:171606) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0116733 | HMDB |
| 74851488 | ChemSpider |