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CHEBI:59638 - mycothiol sulfinamide

ChEBI IDCHEBI:59638
ChEBI Namemycothiol sulfinamide
Stars
DefinitionThe sulfinamide of mycothiol.
Last Modified16 June 2010
SubmitterR. Stephan
DownloadsMolfile
FormulaC17H31N3O13S
Net Charge0
Average Mass517.510
Monoisotopic Mass517.15776
SMILESCC(=O)N[C@@H](CS(N)=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/C17H31N3O13S/c1-4(22)19-5(3-34(18)31)16(30)20-7-9(24)8(23)6(2-21)32-17(7)33-15-13(28)11(26)10(25)12(27)14(15)29/h5-15,17,21,23-29H,2-3,18H2,1H3,(H,19,22)(H,20,30)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+,34?/m0/s1
InChIKeyCNDWLXPDCHCOGG-RGRIVZOLSA-N
ChEBI Ontology
Outgoing Relation(s)
mycothiol sulfinamide (CHEBI:59638) is a mycothiols (CHEBI:25441)
IUPAC Name 
1-O-(2-{[N-acetyl-3-(aminosulfinyl)-L-alanyl]amino}-2-deoxy-α-D-glucopyranosyl)-1D-myo-inositol
Synonym  Source
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-{[N-acetyl-3-(aminosulfinyl)-L-alanyl]amino}-2-deoxy-α-D-glucopyranosideIUPAC
Citations