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

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beta-D-glucuronate

	Properties	Image
MNX_ID	MNXM728682
reference	chebi:85313
formula	C₆H₉O₇
global charge	-1
mol weight	193.131
InChIKey	AEMOLEFTQBMNLQ-QIUUJYRFSA-M
InChI	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2-,3+,4-,6+/m0/s1
SMILES	O=C([O-])[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
SMILES (mnx)	[C@H:1]1([OH:7])[C@H:2]([OH:8])[C@@H:4]([C:5](=[O:10])[OH:11])[O:13][C@@H:6]([OH:12])[C@@H:3]1[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85313 chebi:85313 AEMOLEFTQBMNLQ-QIUUJYRFSA-M	beta-D-glucuronate beta-D-glucopyranuronate
sabiork.compound:10447 sabiorkM:10447 kegg.compound:C08350 keggC:C08350 AEMOLEFTQBMNLQ-QIUUJYRFSA-N	beta-D-Glucopyranuronic acid beta-D-Glucuronic acid
seed.compound:cpd05264 seedM:cpd05264 AEMOLEFTQBMNLQ-QIUUJYRFSA-M	beta-D-Glucuronic acid beta-D-Glucopyranuronic acid beta-D-glucopyranuronic acid beta-D-glucuronate beta-D-glucuronic acid
metacyc.compound:CPD-12521 metacycM:CPD-12521 AEMOLEFTQBMNLQ-QIUUJYRFSA-M	beta-D-glucuronate beta-D-glucopyranuronic acid beta-D-glucuronic acid
CHEBI:28860 chebi:28860 AEMOLEFTQBMNLQ-QIUUJYRFSA-N	beta-D-glucuronic acid (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid GlcAb GlcAbeta beta-D-GlcpA beta-D-Glucopyranuronic acid beta-D-Glucuronic acid beta-D-glucopyranuronic acid
chebi:10395 chebi:21016 chebi:40973 keggC:M_C08350 seedM:M_cpd05264	secondary/obsolete/fantasy identifier