EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:171199 - PE-NMe(14:0/22:5(7Z,10Z,13Z,16Z,19Z))
| Formula | C42H74NO8P |
| Net Charge | 0 |
| Average Mass | 752.027 |
| Monoisotopic Mass | 751.51520 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCNC |
| InChI | InChI=1S/C42H74NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43-3)38-48-41(44)34-32-30-28-26-24-15-13-11-9-7-5-2/h6,8,12,14,17-18,20-21,23,25,40,43H,4-5,7,9-11,13,15-16,19,22,24,26-39H2,1-3H3,(H,46,47)/b8-6-,14-12-,18-17-,21-20-,25-23- |
| InChIKey | XDRWNWNTCKVENU-GPVUTESMSA-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-NMe(14:0/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:171199) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate |
| Manual Xrefs | Databases |
|---|---|
| 74849868 | ChemSpider |
| HMDB0112995 | HMDB |