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CHEBI:171637 - PE-NMe2(15:0/18:3(6Z,9Z,12Z))
| Formula | C40H74NO8P |
| Net Charge | 0 |
| Average Mass | 728.005 |
| Monoisotopic Mass | 727.51520 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C |
| InChI | InChI=1S/C40H74NO8P/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3)4)36-46-39(42)32-30-28-26-24-22-18-16-14-12-10-8-6-2/h13,15,19-20,23,25,38H,5-12,14,16-18,21-22,24,26-37H2,1-4H3,(H,44,45)/b15-13-,20-19-,25-23- |
| InChIKey | AHKTUQIGVWLCEY-FPYAUJESSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | 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-NMe2(15:0/18:3(6Z,9Z,12Z)) (CHEBI:171637) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0113921 | HMDB |
| 74850709 | ChemSpider |