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CHEBI:170333 - PE(18:3(9Z,12Z,15Z)/P-18:1(9Z))
| Formula | C41H74NO7P |
| Net Charge | 0 |
| Average Mass | 724.017 |
| Monoisotopic Mass | 723.52029 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C41H74NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-40(39-49-50(44,45)48-37-35-42)38-47-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,33,36,40H,3-5,7,9-11,13,15-16,21-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b8-6-,14-12-,19-17-,20-18-,36-33-/t40-/m1/s1 |
| InChIKey | WMZLOYMIIRLLCB-WCQFIOJXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | 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(18:3(9Z,12Z,15Z)/P-18:1(9Z)) (CHEBI:170333) is a glycerophosphoethanolamine (CHEBI:36314) |
| IUPAC Name |
|---|
| [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
| Manual Xrefs | Databases |
|---|---|
| 24768645 | ChemSpider |
| HMDB0009183 | HMDB |