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CHEBI:61338 - bacillithiol
| Formula | C13H22N2O10S |
| Net Charge | 0 |
| Average Mass | 398.390 |
| Monoisotopic Mass | 398.09952 |
| SMILES | N[C@@H](CS)C(=O)N[C@H]1[C@@H](O[C@@H](CC(=O)O)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C13H22N2O10S/c14-4(3-26)11(21)15-8-10(20)9(19)6(2-16)25-13(8)24-5(12(22)23)1-7(17)18/h4-6,8-10,13,16,19-20,26H,1-3,14H2,(H,15,21)(H,17,18)(H,22,23)/t4-,5-,6+,8+,9+,10+,13-/m0/s1 |
| InChIKey | UHNHELGKNQMNGF-AOQKXWSCSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Roles: | cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bacillithiol (CHEBI:61338) has role antioxidant (CHEBI:22586) |
| bacillithiol (CHEBI:61338) has role bacterial metabolite (CHEBI:76969) |
| bacillithiol (CHEBI:61338) has role cofactor (CHEBI:23357) |
| bacillithiol (CHEBI:61338) is a glycoside (CHEBI:24400) |
| bacillithiol (CHEBI:61338) is a monosaccharide derivative (CHEBI:63367) |
| bacillithiol (CHEBI:61338) is a thiol (CHEBI:29256) |
| bacillithiol (CHEBI:61338) is conjugate acid of bacillithiol(1−) (CHEBI:64876) |
| Incoming Relation(s) |
| bacillithiol(1−) (CHEBI:64876) is conjugate base of bacillithiol (CHEBI:61338) |
| IUPAC Name |
|---|
| (2S)-2-{[2-(L-cysteinylamino)-2-deoxy-α-D-glucopyranosyl]oxy}butanedioic acid |
| Synonyms | Source |
|---|---|
| BSH | ChEBI |
| Cys-GlcN-mal | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| Bacillithiol | Wikipedia |
| CPD8J2-3 | MetaCyc |
| Citations |
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