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1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside

MNXM1704 is deprecated and here replaced by MNXM731586
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731586 Image of MNXM731586
referencechebi:58887
formulaC15H29N2O11S
global charge1
mol weight445.467
InChIKeyZGXSCMBZZVXWGF-BSEFFJTHSA-O
InChIInChI=1S/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/p+1/t3-,4+,5+,6+,7+,8-,9-,10+,11+,12+,13-,15+/m0/s1
SMILES[NH3+][C@@H](CS)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
MNX internals
InChI (mnx)InChI=1/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)/t3-,4+,5+,6+,7+,8-,9-,10+,11+,12+,13-,15+/m0/s1 Image of MNXM731586
SMILES (mnx)[CH2:1]([C@@H:4]1[C@@H:6]([OH:19])[C@H:7]([OH:20])[C@@H:5]([N:17]=[C:14]([C@H:3]([CH2:2][SH:29])[NH2:16])[OH:26])[C@@H:15]([O:28][C@H:13]2[C@H:11]([OH:24])[C@@H:9]([OH:22])[C@H:8]([OH:21])[C@@H:10]([OH:23])[C@H:12]2[OH:25])[O:27]1)[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58887
chebi:58887
ZGXSCMBZZVXWGF-BSEFFJTHSA-O 		1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside
1-O-(2-{[(2R)-2-azniumyl-3-sulfanylpropanoyl]amino}-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol
1D-myo-inositol 2-(L-cysteiniumylamino)-2-deoxy-alpha-D-glucopyranoside

seed.compound:cpd20951
seedM:cpd20951
ZGXSCMBZZVXWGF-BSEFFJTHSA-N 		1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol
1-D-myo-inosityl-2-(L-cysteinyl)amido-2-deoxy-alpha-D-glucopyranoside
3-O-(2-L-cysteinamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol
Cys-GlcN-Ins
Desacetylmycothiol
deacetylmycothiol
desacetylmycothiol

kegg.compound:C19703
keggC:C19703
ZGXSCMBZZVXWGF-BSEFFJTHSA-N 		1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol
Desacetylmycothiol

sabiork.compound:31029
sabiorkM:31029
ZGXSCMBZZVXWGF-BSEFFJTHSA-O 		1D-myo-Inositol 2-(L-cysteiniumylamino)-2-deoxy-alpha-D-glucopyranoside
Cys-GlcN-Ins
Deacetylmycothiol

reactome:R-ALL-879313
reactomeM:R-ALL-879313
CHEBI:52285
chebi:52285
ZGXSCMBZZVXWGF-BSEFFJTHSA-N 		1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside
1-O-[2-(L-cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol
1-O-[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol
1D-myo-inositol 2-(L-cysteinyl)amido-2-deoxy-alpha-D-glucopyranoside
desacetylmycothiol

bigg.metabolite:cigam
biggM:cigam 		Cys-1D-myo-inositol 2-deoxy-D-glucopyranoside

metacyc.compound:CPD1G-120
metacycM:CPD1G-120
ZGXSCMBZZVXWGF-BSEFFJTHSA-O 		deacetylmycothiol
1-D-myo-inosityl-2-(L-cysteinyl)amido-2-deoxy-alpha-D-glucopyranoside
3-O-(2-L-cysteinamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol
Cys-GlcN-Ins
desacetylmycothiol

biggM:M_cigam
keggC:M_C19703
seedM:M_cpd20951 		secondary/obsolete/fantasy identifier