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CHEBI:171204 - PE-NMe(18:4(6Z,9Z,12Z,15Z)/18:1(9Z))
| Formula | C42H74NO8P |
| Net Charge | 0 |
| Average Mass | 752.027 |
| Monoisotopic Mass | 751.51520 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C42H74NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6,8,12,14,18-21,24,26,40,43H,4-5,7,9-11,13,15-17,22-23,25,27-39H2,1-3H3,(H,46,47)/b8-6-,14-12-,20-18-,21-19-,26-24- |
| InChIKey | QDYPTVXOJLRMPP-YKHORILKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | 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(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)) (CHEBI:171204) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (Z)-octadec-9-enoate |
| Manual Xrefs | Databases |
|---|---|
| 74850129 | ChemSpider |
| HMDB0113257 | HMDB |