EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C41H78NO8P |
| Net Charge | 0 |
| Average Mass | 744.048 |
| Monoisotopic Mass | 743.54651 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C41H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-17-15-13-11-9-7-2/h14,16,19-20,39H,6-13,15,17-18,21-38H2,1-5H3/b16-14-,20-19-/t39-/m1/s1 |
| InChIKey | QHOURZDLKBFDGQ-ZSIBMOKUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(13:0/20:2(11Z,14Z)) (CHEBI:178748) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643) |
| IUPAC Name |
|---|
| [(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| LMGP01011354 | LIPID MAPS |
| 75319925 | ChemSpider |