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CHEBI:170356 - PE(18:3(9Z,12Z,15Z)/18:1(9Z))
| Formula | C41H74NO8P |
| Net Charge | 0 |
| Average Mass | 740.016 |
| Monoisotopic Mass | 739.51520 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C41H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,39H,3-4,6,8-10,12,14-16,21-38,42H2,1-2H3,(H,45,46)/b7-5-,13-11-,19-17-,20-18-/t39-/m1/s1 |
| InChIKey | QLXOJXUXNJLYFV-REUDLEIBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| Homo sapiens (ncbitaxon:9606) | |||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(18:3(9Z,12Z,15Z)/18:1(9Z)) (CHEBI:170356) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate |
| Manual Xrefs | Databases |
|---|---|
| 24768620 | ChemSpider |
| LMGP02011190 | LIPID MAPS |
| HMDB0009158 | HMDB |