EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H25N4O9S |
| Net Charge | +1 |
| Average Mass | 533.539 |
| Monoisotopic Mass | 533.13368 |
| SMILES | CC(=O)Nc1ccc(S(=O)(=O)Nc2cc[n+](C3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)n2-c2ccccc2)cc1 |
| InChI | InChI=1S/C23H24N4O9S/c1-13(28)24-14-7-9-16(10-8-14)37(34,35)25-17-11-12-26(27(17)15-5-3-2-4-6-15)22-20(31)18(29)19(30)21(36-22)23(32)33/h2-12,18-22,29-31H,1H3,(H2,24,28,32,33)/p+1/t18-,19-,20+,21-,22?/m0/s1 |
| InChIKey | VFIUCIMNWVNBGY-ZWWRZYQRSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-3-(4-acetamidobenzenesulfonamido)-2-phenyl-1lambda5-pyrazol-1-ylium (CHEBI:143469) is a organic cation (CHEBI:25697) |