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CHEBI:750821 - bisbutytiamine
| Formula | C32H46N8O6S2 |
| Net Charge | 0 |
| Average Mass | 702.904 |
| Monoisotopic Mass | 702.29817 |
| SMILES | CCCC(=O)OCC/C(SS/C(CCOC(=O)CCC)=C(\C)N(C=O)Cc1cnc(C)nc1N)=C(/C)N(C=O)Cc1cnc(C)nc1N |
| InChI | InChI=1S/C32H46N8O6S2/c1-7-9-29(43)45-13-11-27(21(3)39(19-41)17-25-15-35-23(5)37-31(25)33)47-48-28(12-14-46-30(44)10-8-2)22(4)40(20-42)18-26-16-36-24(6)38-32(26)34/h15-16,19-20H,7-14,17-18H2,1-6H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+ |
| InChIKey | YMEBNAABDXLAJE-GPAWKIAZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bisbutytiamine (CHEBI:750821) is a fatty acid ester (CHEBI:35748) |
| Synonyms | Source |
|---|---|
| 217882Q07P | ChEMBL |
| Bisbutiamine | ChEMBL |
| Bisbutytiamine | ChEMBL |
| O-butyrylthiamine disulfide | ChEMBL |
| O-butyrylthiamine disulphide | ChEMBL |