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CHEBI:171418 - PE-NMe(22:2(13Z,16Z)/18:3(6Z,9Z,12Z))
| Formula | C46H82NO8P |
| Net Charge | 0 |
| Average Mass | 808.135 |
| Monoisotopic Mass | 807.57781 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCNC |
| InChI | InChI=1S/C46H82NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47-3)55-46(49)39-37-35-33-31-29-27-24-19-17-15-13-11-9-7-5-2/h12-15,18-20,24,29,31,44,47H,4-11,16-17,21-23,25-28,30,32-43H2,1-3H3,(H,50,51)/b14-12-,15-13-,20-18-,24-19-,31-29- |
| InChIKey | REOMXGUTYIFDDR-MCHXITASSA-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) | ||
| Hepa-RG cell (BTO:0005736) | 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(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) (CHEBI:171418) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0113572 | HMDB |
| 74850443 | ChemSpider |