EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22FN3O6S |
| Net Charge | 0 |
| Average Mass | 439.465 |
| Monoisotopic Mass | 439.12133 |
| SMILES | Cc1c(F)c(N2CCN(S(=O)(=O)O)[C@@H](C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 |
| InChI | InChI=1S/C19H22FN3O6S/c1-10-8-21(5-6-23(10)30(27,28)29)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-22(14)12-3-4-12/h7,9-10,12H,3-6,8H2,1-2H3,(H,25,26)(H,27,28,29)/t10-/m0/s1 |
| InChIKey | ZKQWBSJCWLBTSF-JTQLQIEISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-4-sulfopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid (CHEBI:143498) is a quinolone (CHEBI:23765) |