EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H25N3O5S |
| Net Charge | 0 |
| Average Mass | 431.514 |
| Monoisotopic Mass | 431.15149 |
| SMILES | Cc1cccc(S(=O)(=O)N2[C@@H]3Cn4c(cccc4=O)[C@H]2[C@@H](C(=O)N(C)C)[C@@H]3CO)c1 |
| InChI | InChI=1S/C21H25N3O5S/c1-13-6-4-7-14(10-13)30(28,29)24-17-11-23-16(8-5-9-18(23)26)20(24)19(15(17)12-25)21(27)22(2)3/h4-10,15,17,19-20,25H,11-12H2,1-3H3/t15-,17-,19+,20+/m1/s1 |
| InChIKey | DIVLOMPALFPCBT-BEKAIBRUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-14076 (CHEBI:102730) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14076 | LINCS |