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S-(hydroxymethyl)mycothiol

Properties

Image

Occurences in reactions

MNX_ID

MNXM2726

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₈H₃₂N₂O₁₃S

charge

mass

516.16251

reference

chebi:61586

InChIKey

QHDGYCVBKYWETJ-QFVXKRNMSA-N

InChI

InChI=1S/C18H32N2O13S/c1-5(23)19-6(3-34-4-22)17(31)20-8-10(25)9(24)7(2-21)32-18(8)33-16-14(29)12(27)11(26)13(28)15(16)30/h6-16,18,21-22,24-30H,2-4H2,1H3,(H,19,23)(H,20,31)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,16-,18+/m0/s1

SMILES

CC(=O)N[C@@H](CSCO)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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61586 chebi:61586	S-(hydroxymethyl)mycothiol (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-{[N-acetyl-S-(hydroxymethyl)-L-cysteinyl]amino}-2-deoxy-alpha-D-glucopyranoside 1-O-(2-{[N-acetyl-S-(hydroxymethyl)-L-cysteinyl]amino}-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol
kegg.compound:C18235 keggC:C18235	S-(Hydroxymethyl)mycothiol
seed.compound:cpd19501 seedM:cpd19501	S-(Hydroxymethyl)mycothiol S-(hydroxymethyl)mycothiol S-hydroxymethylmycothiol
metacyc.compound:S-HYDROXYMETHYLMYCOTHIOL metacycM:S-HYDROXYMETHYLMYCOTHIOL	S-(hydroxymethyl)mycothiol
keggC:M_C18235 seedM:M_cpd19501	secondary/obsolete/fantasy identifier