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CHEBI:170609 - PE(20:3(8Z,11Z,14Z)/P-18:1(9Z))
| Formula | C43H78NO7P |
| Net Charge | 0 |
| Average Mass | 752.071 |
| Monoisotopic Mass | 751.55159 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,35,38,42H,3-10,12,14-16,21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,24-22-,38-35-/t42-/m1/s1 |
| InChIKey | XHTFTURYMCLZGO-ZTRSCIFDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(20:3(8Z,11Z,14Z)/P-18:1(9Z)) (CHEBI:170609) is a glycerophosphoethanolamine (CHEBI:36314) |
| IUPAC Name |
|---|
| [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0009381 | HMDB |
| 24768832 | ChemSpider |