OntologieschebiclassesCHEBI:61338   
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bacillithiol
http://purl.obolibrary.org/obo/CHEBI_61338

A thiol that is the alpha-anomeric glycoside of L-cysteinyl-D-glucosamine with L-malic acid.

Also appears inslmgo
Exact Synonyms
(2S)-2-{[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid
Related Synonyms
BSH
Cys-GlcN-mal
class Information
charge

0

formula

C13H22N2O10S

has_obo_namespace

chebi_ontology

inchikey

UHNHELGKNQMNGF-AOQKXWSCSA-N

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

in_subset

3_STAR

mass

398.38600

monoisotopicmass

398.09952

smiles

N[C@@H](CS)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H](CC(O)=O)C(O)=O

class Relations