EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H23N3O9S |
| Net Charge | 0 |
| Average Mass | 517.516 |
| Monoisotopic Mass | 517.11550 |
| SMILES | CCOC(=O)Nc1ccc2c(COC(=O)CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc(=O)oc2c1 |
| InChI | InChI=1S/C23H23N3O9S/c1-3-33-23(30)26-17-6-9-19-15(10-21(28)35-20(19)11-17)13-34-22(29)12-24-36(31,32)18-7-4-16(5-8-18)25-14(2)27/h4-11,24H,3,12-13H2,1-2H3,(H,25,27)(H,26,30) |
| InChIKey | YJIHSOBMJMONDK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester (CHEBI:105794) is a α-amino acid ester (CHEBI:46874) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17156 | LINCS |