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CHEBI:171648 - PE-NMe(18:3(6Z,9Z,12Z)/16:0)
| 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)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCC |
| InChI | InChI=1S/C40H74NO8P/c1-4-6-8-10-12-14-16-18-19-21-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41-3)49-40(43)33-31-29-27-25-23-20-17-15-13-11-9-7-5-2/h12,14,18-19,22,24,38,41H,4-11,13,15-17,20-21,23,25-37H2,1-3H3,(H,44,45)/b14-12-,19-18-,24-22- |
| InChIKey | QHSCNVWWDQTRSL-XRXIYWQUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE-NMe(18:3(6Z,9Z,12Z)/16:0) (CHEBI:171648) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0113196 | HMDB |
| 74850068 | ChemSpider |