EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | H2O.C24H28N6O3.CH4O3S.H2O |
| Net Charge | 0 |
| Average Mass | 580.664 |
| Monoisotopic Mass | 580.23153 |
| SMILES | CS(=O)(=O)O.O.O.O=c1ccc2ncc(=O)n3c2n1C[C@H]3CN1CCC(NCc2cc3c(cn2)OCCC3)CC1 |
| InChI | InChI=1S/C24H28N6O3.CH4O3S.2H2O/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18;1-5(2,3)4;;/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2;1H3,(H,2,3,4);2*1H2/t19-;;;/m1.../s1 |
| InChIKey | MTLHHQWYERWLIX-RGFWRHHQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gepotidacin mesylate (CHEBI:755596) is a pyranopyridine (CHEBI:38192) |
| Synonyms | Source |
|---|---|
| Gepotidacin mesilate dihydrate | ChEMBL |
| Gepotidacin mesylate | ChEMBL |
| Gepotidacin mesylate dihydrate | ChEMBL |
| GSK-2140944E | ChEMBL |
| GSK2140944E | ChEMBL |
| GSK-2140944 MESYLATE DIHYDRATE | ChEMBL |