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CHEBI:170575 - PE(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))
| Formula | C43H76NO8P |
| Net Charge | 0 |
| Average Mass | 766.054 |
| Monoisotopic Mass | 765.53086 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
| InChI | InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24,28,30,41H,3-11,13,15-16,20,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,24-22-,30-28-/t41-/m1/s1 |
| InChIKey | IXWDETUUUCHRRC-JASSPJQVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | 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(18:2(9Z,12Z)/20:3(5Z,8Z,11Z)) (CHEBI:170575) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0009100 | HMDB |
| 24768563 | ChemSpider |