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CHEBI:171623 - PE-NMe(18:3(6Z,9Z,12Z)/20:2(11Z,14Z))
| Formula | C44H78NO8P |
| Net Charge | 0 |
| Average Mass | 780.081 |
| Monoisotopic Mass | 779.54651 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C44H78NO8P/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/h12-15,18-20,22,26,28,42,45H,4-11,16-17,21,23-25,27,29-41H2,1-3H3,(H,48,49)/b14-12-,15-13-,20-18-,22-19-,28-26- |
| InChIKey | IIRBUHFLIAQHMV-BDXYLDMWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;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)/20:2(11Z,14Z)) (CHEBI:171623) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate |
| Manual Xrefs | Databases |
|---|---|
| 74850078 | ChemSpider |
| HMDB0113206 | HMDB |