EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C40H78NO8P |
| Net Charge | 0 |
| Average Mass | 732.037 |
| Monoisotopic Mass | 731.54651 |
| SMILES | CCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C40H78NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h12,14,38H,3-11,13,15-37,41H2,1-2H3,(H,44,45)/b14-12-/t38-/m1/s1 |
| InChIKey | CKMSRZQDOZNQNS-PKANKXGDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(15:1(9Z)/20:0) (CHEBI:196802) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropan-2-yl] icosanoate |
| Manual Xrefs | Databases |
|---|---|
| LMGP02010493 | LIPID MAPS |
| 113375495 | ChemSpider |