EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C42H82NO8P |
| Net Charge | 0 |
| Average Mass | 760.091 |
| Monoisotopic Mass | 759.57781 |
| SMILES | CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C42H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h19,21,40H,3-18,20,22-39,43H2,1-2H3,(H,46,47)/b21-19-/t40-/m1/s1 |
| InChIKey | UBFUSOOSEOXJSO-DFGWVCPLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(19:1(9Z)/18:0) (CHEBI:178464) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] (Z)-nonadec-9-enoate |
| Manual Xrefs | Databases |
|---|---|
| 59700533 | ChemSpider |
| LMGP02010804 | LIPID MAPS |