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CHEBI:59629 - N-ethylsuccinimide-mycothiol conjugate

ChEBI IDCHEBI:59629
ChEBI NameN-ethylsuccinimide-mycothiol conjugate
Stars
ASCII NameN-ethylsuccinimide-mycothiol conjugate
DefinitionA mycothiol conjugate arising from formal addition of the side-chain sulfur atom of the cysteine residue of mycothiol across the C=C double bond of N-ethylmaleimide.
Last Modified16 June 2010
SubmitterR. Stephan
DownloadsMolfile
FormulaC23H37N3O14S
Net Charge0
Average Mass611.623
Monoisotopic Mass611.19962
SMILESCCN1C(=O)CC(SC[C@H](NC(C)=O)C(=O)N[C@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1=O
InChIInChI=1S/C23H37N3O14S/c1-3-26-11(29)4-10(22(26)38)41-6-8(24-7(2)28)21(37)25-12-14(31)13(30)9(5-27)39-23(12)40-20-18(35)16(33)15(32)17(34)19(20)36/h8-10,12-20,23,27,30-36H,3-6H2,1-2H3,(H,24,28)(H,25,37)/t8-,9+,10?,12+,13+,14+,15-,16-,17+,18+,19+,20-,23+/m0/s1
InChIKeyYFFJOSWPXOIETK-UQQPXVIBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-ethylsuccinimide-mycothiol conjugate (CHEBI:59629) has functional parent N-ethylsuccinimide (CHEBI:44348)
N-ethylsuccinimide-mycothiol conjugate (CHEBI:59629) is a mycothiol S-conjugate (CHEBI:59633)
IUPAC Name 
1-O-(2-{[N-acetyl-S-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-L-cysteinyl]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-S-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-L-cysteinyl]amino}-2-deoxy-α-D-glucopyranosideIUPAC
Citations