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CHEBI:59651 - arseno-mycothiol

ChEBI IDCHEBI:59651
ChEBI Namearseno-mycothiol
Stars
DefinitionThe dihydrogen arsenothioate resulting from the formal condensation of the thiol group of mycothiol with arsenic acid.
Last Modified21 June 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H31AsN2O15S
Net Charge0
Average Mass610.423
Monoisotopic Mass610.06611
SMILESCC(=O)N[C@@H](CS[As](=O)(O)O)C(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H31AsN2O15S/c1-4(22)19-5(3-36-18(31,32)33)16(30)20-7-9(24)8(23)6(2-21)34-17(7)35-15-13(28)11(26)10(25)12(27)14(15)29/h5-15,17,21,23-29H,2-3H2,1H3,(H,19,22)(H,20,30)(H2,31,32,33)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+/m0/s1
InChIKeyUFFVRAZTLALLGR-FQBKTPCVSA-N
ChEBI Ontology
Outgoing Relation(s)
arseno-mycothiol (CHEBI:59651) is a arsenic molecular entity (CHEBI:22632)
arseno-mycothiol (CHEBI:59651) is conjugate acid of arseno-mycothiol(1−) (CHEBI:59653)
Incoming Relation(s)
arseno-mycothiol(1−) (CHEBI:59653) is conjugate base of arseno-mycothiol (CHEBI:59651)
IUPAC Name 
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-S-arsono-L-cysteinyl)amino]-2-deoxy-α-D-glucopyranoside
Synonym  Source
arsenomycothiolChEBI
Citations