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

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methyl beta-D-glucopyranoside

	Properties	Image
MNX_ID	MNXM731029
reference	chebi:320055
formula	C₇H₁₄O₆
global charge	0
mol weight	194.183
InChIKey	HOVAGTYPODGVJG-XUUWZHRGSA-N
InChI	InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
SMILES	CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
SMILES (mnx)	[CH3:1][O:12][C@H:7]1[C@H:6]([OH:11])[C@@H:5]([OH:10])[C@H:4]([OH:9])[C@@H:3]([CH2:2][OH:8])[O:13]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:320055 chebi:320055 HOVAGTYPODGVJG-XUUWZHRGSA-N	methyl beta-D-glucopyranoside 1-O-Methyl-beta-D-glucopyranoside Beta-methyl-d-glucoside Methyl beta-d-glucoside Methyl hexopyranoside beta-Methylglucoside beta-d-Methylglucopyranoside
hmdb:HMDB0029965 HOVAGTYPODGVJG-XUUWZHRGSA-N	Methyl beta-D-glucopyranoside (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol 1-O-Methyl-b-D-glucopyranoside 1-O-Methyl-beta-D-glucopyranoside 1-O-Methylglucose Beta-Methyl-D-glucoside D-Glucoside, methyl Methyl D-glucopyranoside Methyl D-glucoside Methyl b-D-glucopyranoside Methyl b-D-glucoside Methyl beta-D-glucoside Methyl glucose Methyl hexopyranoside Methyl-D-glucoside Methylglucoside Methylglucoside, (beta-D)-isomer b-D-Methylglucopyranoside b-Methyl-D-glucoside b-Methylglucoside beta-D-Methylglucopyranoside beta-D-methylglucopyranoside beta-Methylglucoside beta-methyl-D-glucoside beta-methylglucoside methyl beta-d-glucoside
vmhM:madg vmhmetabolite:madg HOVAGTYPODGVJG-XUUWZHRGSA-N	alpha-Methyl-D-glucoside (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
seed.compound:cpd11603 seedM:cpd11603 HOVAGTYPODGVJG-XUUWZHRGSA-N	b-Methyl-D-Glucoside 1-O-methyl-beta-D-glucopyranose b-methyl-D-glucoside beta-methyl-D-glucoside methyl beta-D-glucoside methyl-beta-D-glucopyranoside methyl-beta-D-glucopyranoside hemihydrate methyl-beta-D-glucose
sabiork.compound:20987 sabiorkM:20987 HOVAGTYPODGVJG-XUUWZHRGSA-N	beta-Methyl-D-glucopyranoside (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-methoxyoxane-3,4,5-triol
metacyc.compound:CPD-3570 metacycM:CPD-3570 HOVAGTYPODGVJG-XUUWZHRGSA-N	methyl beta-D-glucoside 1-O-methyl-beta-D-glucopyranose b-methyl-D-glucoside beta-methyl-D-glucoside methyl-beta-D-glucopyranoside methyl-beta-D-glucopyranoside hemihydrate methyl-beta-D-glucose
hmdb:HMDB29965 chebi:43887 seedM:M_cpd11603 vmhM:M_madg	secondary/obsolete/fantasy identifier