EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:171052 - PE-NMe(18:2(9Z,12Z)/20:2(11Z,14Z))
| Formula | C44H80NO8P |
| Net Charge | 0 |
| Average Mass | 782.097 |
| Monoisotopic Mass | 781.56216 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCNC |
| 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/h12-15,18-20,22,42,45H,4-11,16-17,21,23-41H2,1-3H3,(H,48,49)/b14-12-,15-13-,20-18-,22-19- |
| InChIKey | ZIMMPNSGYHHAIF-MNIDJLETSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;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)/20:2(11Z,14Z)) (CHEBI:171052) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate |
| Manual Xrefs | Databases |
|---|---|
| 74850050 | ChemSpider |
| HMDB0113178 | HMDB |