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CHEBI:171193 - PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)
| Formula | C42H74NO8P |
| Net Charge | 0 |
| Average Mass | 752.027 |
| Monoisotopic Mass | 751.51520 |
| 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)CCCCCCCCCCCCC |
| InChI | InChI=1S/C42H74NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-24-15-13-11-9-7-5-2/h12,14,17-18,20-21,23,25,28,30,40,43H,4-11,13,15-16,19,22,24,26-27,29,31-39H2,1-3H3,(H,46,47)/b14-12-,18-17-,21-20-,25-23-,30-28- |
| InChIKey | MDFNCXJJQGEEFO-HLUMCOLCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | 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(22:5(4Z,7Z,10Z,13Z,16Z)/14:0) (CHEBI:171193) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate |
| Manual Xrefs | Databases |
|---|---|
| 74850491 | ChemSpider |
| HMDB0113620 | HMDB |