EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:171202 - PE-NMe(20:4(8Z,11Z,14Z,17Z)/16:1(9Z))
| 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\CCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCC/C=C\CCCCCC |
| InChI | InChI=1S/C42H74NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-22-17-15-13-11-9-7-5-2/h6,8,12,14-15,17-19,21,23,40,43H,4-5,7,9-11,13,16,20,22,24-39H2,1-3H3,(H,46,47)/b8-6-,14-12-,17-15-,19-18-,23-21- |
| InChIKey | AUASOFSJBBXRSZ-DHSYBHLNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| HeLa cell;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(20:4(8Z,11Z,14Z,17Z)/16:1(9Z)) (CHEBI:171202) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0113454 | HMDB |
| 74850325 | ChemSpider |