EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:171340 - PE-NMe2(22:2(13Z,16Z)/14:1(9Z))
| Formula | C43H80NO8P |
| Net Charge | 0 |
| Average Mass | 770.086 |
| Monoisotopic Mass | 769.56216 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN(C)C |
| InChI | InChI=1S/C43H80NO8P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-25-16-14-12-10-8-6-2/h12-15,18-19,41H,5-11,16-17,20-40H2,1-4H3,(H,47,48)/b14-12-,15-13-,19-18- |
| InChIKey | NVWCSLCXHUKEPQ-LXUIFYRWSA-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 (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-NMe2(22:2(13Z,16Z)/14:1(9Z)) (CHEBI:171340) is a phosphatidylethanolamine (CHEBI:16038) |
| IUPAC Name |
|---|
| [3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate |
| Manual Xrefs | Databases |
|---|---|
| 74851254 | ChemSpider |
| HMDB0114467 | HMDB |