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 | CCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-17-15-13-11-9-7-2/h20-21,38H,6-19,22-37H2,1-5H3/b21-20-/t38-/m1/s1 |
| InChIKey | CDQKDVHMZZWJNV-XVKMAEEJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(13:0/19:1(9Z)) (CHEBI:196793) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643) |
| IUPAC Name |
|---|
| [(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| LMGP01011352 | LIPID MAPS |
| 113374908 | ChemSpider |