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CHEBI:59637 - S-nitrosomycothiol

ChEBI IDCHEBI:59637
ChEBI NameS-nitrosomycothiol
Stars
ASCII NameS-nitrosomycothiol
DefinitionThe S-nitroso derivative of mycothiol.
Last Modified16 January 2020
SubmitterR. Stephan
DownloadsMolfile
FormulaC17H29N3O13S
Net Charge0
Average Mass515.494
Monoisotopic Mass515.14211
SMILESCC(=O)N[C@@H](CSN=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/C17H29N3O13S/c1-4(22)18-5(3-34-20-31)16(30)19-7-9(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,2-3H2,1H3,(H,18,22)(H,19,30)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+/m0/s1
InChIKeySRWNXRWNXKQRNS-FQBKTPCVSA-N
ChEBI Ontology
Outgoing Relation(s)
S-nitrosomycothiol (CHEBI:59637) has functional parent mycothiol (CHEBI:16768)
S-nitrosomycothiol (CHEBI:59637) is a nitrosothio compound (CHEBI:145545)
IUPAC Name 
1-O-{2-[(N-acetyl-S-nitroso-L-cysteinyl)amino]-2-deoxy-α-D-glucopyranosyl}-1D-myo-inositol
Synonyms  Source
MSNOSUBMITTER
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-S-nitroso-L-cysteinyl)amino]-2-deoxy-α-D-glucopyranosideIUPAC
Citations