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CHEBI:171268 - PE-NMe2(20:1(11Z)/18:3(6Z,9Z,12Z))
| Formula | C45H82NO8P |
| Net Charge | 0 |
| Average Mass | 796.124 |
| Monoisotopic Mass | 795.57781 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN(C)C |
| InChI | InChI=1S/C45H82NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3)4)54-45(48)38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-2/h14,16,19-21,23,28,30,43H,5-13,15,17-18,22,24-27,29,31-42H2,1-4H3,(H,49,50)/b16-14-,21-19-,23-20-,30-28- |
| InChIKey | HOTKFRULELSMFT-FJJFEEEZSA-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(20:1(11Z)/18:3(6Z,9Z,12Z)) (CHEBI:171268) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 74851006 | ChemSpider |
| HMDB0114219 | HMDB |