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 | CCCCCCCCCCC/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h25,27,40H,6-24,26,28-39H2,1-5H3/b27-25-/t40-/m1/s1 |
| InChIKey | WQHUJDDOJBNBFW-NSXSMVJOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(16:0/18:1(6Z)) (CHEBI:178446) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643) |
| IUPAC Name |
|---|
| [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-6-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| LMGP01010579 | LIPID MAPS |
| 24822344 | ChemSpider |