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CHEBI:171428 - PE-NMe(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))
| Formula | C46H82NO8P |
| Net Charge | 0 |
| Average Mass | 808.135 |
| Monoisotopic Mass | 807.57781 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCNC |
| InChI | InChI=1S/C46H82NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47-3)42-52-45(48)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h12,14-15,17-18,20,22-23,27,29,44,47H,4-11,13,16,19,21,24-26,28,30-43H2,1-3H3,(H,50,51)/b14-12-,17-15-,20-18-,23-22-,29-27- |
| InChIKey | BCSGMDZVRAKJJN-VKRZJHMOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell;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(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:171428) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate |
| Manual Xrefs | Databases |
|---|---|
| 74850004 | ChemSpider |
| HMDB0113131 | HMDB |