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CHEBI:171050 - PE-NMe(18:3(9Z,12Z,15Z)/20:1(11Z))
| Formula | C44H80NO8P |
| Net Charge | 0 |
| Average Mass | 782.097 |
| Monoisotopic Mass | 781.56216 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C44H80NO8P/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45-3)40-50-43(46)36-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h7,9,13,15,18-20,22,42,45H,4-6,8,10-12,14,16-17,21,23-41H2,1-3H3,(H,48,49)/b9-7-,15-13-,20-18-,22-19- |
| InChIKey | KEHMKMSOWUFDKH-MGBRKJJPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | 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(9Z,12Z,15Z)/20:1(11Z)) (CHEBI:171050) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0113234 | HMDB |
| 74850106 | ChemSpider |