EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C43H74NO9P |
| Net Charge | 0 |
| Average Mass | 780.037 |
| Monoisotopic Mass | 779.51012 |
| SMILES | CCCCCCCCCCCCCCCC(=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/C43H74NO9P/c1-3-5-6-7-8-9-10-14-18-21-24-27-30-33-42(45)49-37-39(38-51-54(47,48)50-36-35-44)52-43(46)34-31-28-25-22-19-16-13-11-12-15-17-20-23-26-29-32-41-40(4-2)53-41/h11-12,16-17,19-20,25-26,28-29,39-41H,3-10,13-15,18,21-24,27,30-38,44H2,1-2H3,(H,47,48)/b12-11-,19-16-,20-17-,28-25-,29-26- |
| InChIKey | OSLFSSZIMRCNNW-NQXBCYNTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | INS-1 cell (BTO:0002135) | MetaboLights (MTBLS3963) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pe(16:0/19,20-epdpe) (CHEBI:191098) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoate |