EMBL-EBI | Chemical Biology | ChEBI
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| Formula | H2O4S.C25H27F3N2O3.C25H27F3N2O3 |
| Net Charge | 0 |
| Average Mass | 1019.071 |
| Monoisotopic Mass | 1018.36213 |
| SMILES | Cc1cnc(-c2ccc(C(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O.Cc1cnc(-c2ccc(C(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O.O=S(=O)(O)O |
| InChI | InChI=1S/2C25H27F3N2O3.H2O4S/c2*1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28;1-5(2,3)4/h2*3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32);(H2,1,2,3,4)/t2*17-;/m11./s1 |
| InChIKey | FDHGZVONYAISRU-NCTGSHGJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bocidelpar sulfate (CHEBI:758965) is a imidazoles (CHEBI:24780) |
| Synonyms | Source |
|---|---|
| Asp-0367 hemisulfate | ChEMBL |
| ASP0367 hemisulfate | ChEMBL |
| Bocidelpar sulfate | ChEMBL |
| MA-0211 HEMISULFATE | ChEMBL |