EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C39H76NO8P |
| Net Charge | 0 |
| Average Mass | 718.010 |
| Monoisotopic Mass | 717.53086 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+] |
| InChI | InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,37H,3-13,15,17-36,40H2,1-2H3,(H,43,44)/b16-14-/t37-/m1/s1 |
| InChIKey | XQWOAWVAWAXMKM-UHGNNPBBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(18:0/16:1(9Z)) zwitterion (CHEBI:195411) is a organic molecular entity (CHEBI:50860) |