EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:171341 - PE-NMe2(18:3(9Z,12Z,15Z)/18:0)
| Formula | C43H80NO8P |
| Net Charge | 0 |
| Average Mass | 770.086 |
| Monoisotopic Mass | 769.56216 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C43H80NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h7,9,13,15,19,21,41H,5-6,8,10-12,14,16-18,20,22-40H2,1-4H3,(H,47,48)/b9-7-,15-13-,21-19- |
| InChIKey | NASVLMWQTWMILA-COSYBTHASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE-NMe2(18:3(9Z,12Z,15Z)/18:0) (CHEBI:171341) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 74850916 | ChemSpider |
| HMDB0114128 | HMDB |