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CHEBI:750616 - acefurtiamine
| Formula | C21H24N4O7S |
| Net Charge | 0 |
| Average Mass | 476.511 |
| Monoisotopic Mass | 476.13657 |
| SMILES | CC(=O)OCC(=O)OCC/C(SC(=O)c1ccco1)=C(\C)N(C=O)Cc1cnc(C)nc1N |
| InChI | InChI=1S/C21H24N4O7S/c1-13(25(12-26)10-16-9-23-14(2)24-20(16)22)18(33-21(29)17-5-4-7-30-17)6-8-31-19(28)11-32-15(3)27/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H2,22,23,24)/b18-13- |
| InChIKey | MYBUGVXNAHWTOL-AQTBWJFISA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acefurtiamine (CHEBI:750616) is a furoic acid (CHEBI:36055) |
| INNs | Source |
|---|---|
| acefurtiamina | WHO MedNet |
| acefurtiamine | WHO MedNet |