EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H31F3NO7PS |
| Net Charge | 0 |
| Average Mass | 517.503 |
| Monoisotopic Mass | 517.15109 |
| SMILES | CCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C |
| InChI | InChI=1S/C20H31F3NO7PS/c1-7-29-18(25)19(20(21,22)23,24-33(27,28)17-10-8-16(6)9-11-17)32(26,30-12-14(2)3)31-13-15(4)5/h8-11,14-15,24H,7,12-13H2,1-6H3 |
| InChIKey | KREHTTSFYWSORW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester (CHEBI:117101) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28548 | LINCS |