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CHEBI:171275 - PE-NMe2(18:1(9Z)/20:3(5Z,8Z,11Z))
| Formula | C45H82NO8P |
| Net Charge | 0 |
| Average Mass | 796.124 |
| Monoisotopic Mass | 795.57781 |
| SMILES | CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN(C)C |
| InChI | InChI=1S/C45H82NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h19-21,23-24,26,30,32,43H,5-18,22,25,27-29,31,33-42H2,1-4H3,(H,49,50)/b21-19-,23-20-,26-24-,32-30- |
| InChIKey | NXNBUMYIQNFIJX-UUNWVVHGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE-NMe2(18:1(9Z)/20:3(5Z,8Z,11Z)) (CHEBI:171275) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate |
| Manual Xrefs | Databases |
|---|---|
| 74850839 | ChemSpider |
| HMDB0114051 | HMDB |