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CHEBI:171239 - PE-NMe2(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
| Formula | C45H80NO8P |
| Net Charge | 0 |
| Average Mass | 794.108 |
| Monoisotopic Mass | 793.56216 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN(C)C |
| InChI | InChI=1S/C45H80NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2/h13,15-16,18-20,22-23,26,28,43H,5-12,14,17,21,24-25,27,29-42H2,1-4H3,(H,49,50)/b15-13-,18-16-,20-19-,23-22-,28-26- |
| InChIKey | VWXDCPDUSNJZAV-FKZVSKFDSA-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) | ||
| 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(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:171239) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate |
| Manual Xrefs | Databases |
|---|---|
| 74850767 | ChemSpider |
| HMDB0113979 | HMDB |