EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:191108 - Pe(18:0/19,20-epdpe)
| Formula | C45H78NO9P |
| Net Charge | 0 |
| Average Mass | 808.091 |
| Monoisotopic Mass | 807.54142 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC1OC1CC |
| InChI | InChI=1S/C45H78NO9P/c1-3-5-6-7-8-9-10-11-13-17-20-23-26-29-32-35-44(47)51-39-41(40-53-56(49,50)52-38-37-46)54-45(48)36-33-30-27-24-21-18-15-12-14-16-19-22-25-28-31-34-43-42(4-2)55-43/h12,14,18-19,21-22,27-28,30-31,41-43H,3-11,13,15-17,20,23-26,29,32-40,46H2,1-2H3,(H,49,50)/b14-12-,21-18-,22-19-,30-27-,31-28- |
| InChIKey | LGCVHGQURUDXEB-AVEPAOJESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | INS-1 cell (BTO:0002135) | MetaboLights (MTBLS3963) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pe(18:0/19,20-epdpe) (CHEBI:191108) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoate |