CHEBI:59651 - arseno-mycothiol

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ChEBI Name arseno-mycothiol
ChEBI ID CHEBI:59651
Definition The dihydrogen arsenothioate resulting from the formal condensation of the thiol group of mycothiol with arsenic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H31AsN2O15S
Net Charge 0
Average Mass 610.41900
Monoisotopic Mass 610.06611
InChI InChI=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
InChIKey UFFVRAZTLALLGR-FQBKTPCVSA-N
SMILES CC(=O)N[C@@H](CS[As](O)(O)=O)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing 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 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
arsenomycothiol ChEBI
Citation Waiting for Citations Type Source
19286650 PubMed citation Europe PMC
Last Modified
21 June 2010