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CHEBI:171208 - PE-NMe(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))
| Formula | C42H74NO8P |
| Net Charge | 0 |
| Average Mass | 752.027 |
| Monoisotopic Mass | 751.51520 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCNC |
| InChI | InChI=1S/C42H74NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h12-15,18-21,25,27,40,43H,4-11,16-17,22-24,26,28-39H2,1-3H3,(H,46,47)/b14-12-,15-13-,20-18-,21-19-,27-25- |
| InChIKey | GATBFSBADHBXDE-VSAYOHKZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | 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(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) (CHEBI:171208) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0113173 | HMDB |
| 74850045 | ChemSpider |