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CHEBI:171421 - PE-NMe(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))
| Formula | C46H82NO8P |
| Net Charge | 0 |
| Average Mass | 808.135 |
| Monoisotopic Mass | 807.57781 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C46H82NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47-3)55-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6,8,12,14,18-21,24,26,44,47H,4-5,7,9-11,13,15-17,22-23,25,27-43H2,1-3H3,(H,50,51)/b8-6-,14-12-,20-18-,21-19-,26-24- |
| InChIKey | FPIROTLAPYAYLH-YKHORILKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | 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(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) (CHEBI:171421) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropan-2-yl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 74850334 | ChemSpider |
| HMDB0113463 | HMDB |