MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside

	Properties	Image
MNX_ID	MNXM727586
reference	chebi:58886
formula	C₁₂H₂₄NO₁₀
global charge	1
mol weight	342.321
InChIKey	HEPUIGACZYVUCD-LFIKJOHQSA-O
InChI	InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/p+1/t2-,3-,4-,5-,6-,7-,8+,9-,10-,11-,12-/m1/s1
SMILES	[NH3+][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/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8+,9-,10-,11-,12-/m1/s1
SMILES (mnx)	[CH2:1]([C@@H:2]1[C@@H:4]([OH:15])[C@H:5]([OH:16])[C@@H:3]([NH2:13])[C@@H:12]([O:23][C@@H:11]2[C@H:9]([OH:20])[C@H:7]([OH:18])[C@@H:6]([OH:17])[C@H:8]([OH:19])[C@H:10]2[OH:21])[O:22]1)[OH:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58886 chebi:58886 HEPUIGACZYVUCD-LFIKJOHQSA-O	1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside 1-O-(2-azaniumyl-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 1D-myo-inositol 2-ammonio-2-deoxy-alpha-D-glucopyranoside
metacyc.compound:CPD1G-0 metacycM:CPD1G-0 HEPUIGACZYVUCD-LFIKJOHQSA-O	1-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 1-(2-amino-2-deoxy-alpha-D-glucopyranoside)-1D-myo-inositol 1-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 6-(alpha-D-glucosaminyl)-1D-myo-inositol GlcN-Ins glucosaminyl-inositol
kegg.compound:C19702 keggC:C19702 HEPUIGACZYVUCD-LFIKJOHQSA-N	1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol
seed.compound:cpd20950 seedM:cpd20950 HEPUIGACZYVUCD-LFIKJOHQSA-O	1-O-(2-Amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 1-(2-amino-2-deoxy-alpha-D-glucopyranoside)-1D-myo-inositol 1-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 1-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 6-(alpha-D-glucosaminyl)-1D-myo-inositol GlcN-Ins glucosaminyl-inositol
reactome:R-ALL-879264 reactomeM:R-ALL-879264 CHEBI:52283 chebi:52283 HEPUIGACZYVUCD-LFIKJOHQSA-N	1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside 1-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol
bigg.metabolite:igam biggM:igam	1D-myo-inositol 2-deoxy-D-glucopyranoside
biggM:M_igam keggC:M_C19702 seedM:M_cpd20950	secondary/obsolete/fantasy identifier