EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H31N3O5S |
| Net Charge | 0 |
| Average Mass | 473.595 |
| Monoisotopic Mass | 473.19844 |
| SMILES | CC=Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccccc1)O2 |
| InChI | InChI=1S/C24H31N3O5S/c1-5-9-19-12-21-23(25-13-19)32-22(17(2)14-27(24(21)29)18(3)16-28)15-26(4)33(30,31)20-10-7-6-8-11-20/h5-13,17-18,22,28H,14-16H2,1-4H3/t17-,18-,22+/m0/s1 |
| InChIKey | QTAVZODTPXRUHS-NPPFBWRTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-41253 (CHEBI:129702) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41253 | LINCS |