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CHEBI:170639 - PE(18:3(6Z,9Z,12Z)/20:1(11Z))
| Formula | C43H78NO8P |
| Net Charge | 0 |
| Average Mass | 768.070 |
| Monoisotopic Mass | 767.54651 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C43H78NO8P/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/h12,14,17-19,21,25,27,41H,3-11,13,15-16,20,22-24,26,28-40,44H2,1-2H3,(H,47,48)/b14-12-,19-17-,21-18-,27-25-/t41-/m1/s1 |
| InChIKey | JDMYIRPBIXAKJM-HCEMQMAESA-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(18:3(6Z,9Z,12Z)/20:1(11Z)) (CHEBI:170639) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 24768594 | ChemSpider |
| HMDB0009131 | HMDB |
| LMGP02010699 | LIPID MAPS |