RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0155912
RefMet name	Glucuronic acid
Systematic name	(2S,3S,4S,5R)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylic acid
Synonyms	PubChem Synonyms
Exact mass	194.042655 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C6H10O7	View other entries in RefMet with this formula
Molecular descriptors
Molfile	49880 (Download molfile/View MW Metabolite Database details)
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)/t1-,2-,3+,4-,6?/m0/s1
InChIKey	AEMOLEFTQBMNLQ-AQKNRBDQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	[C@@H]1([C@@H]([C@@H](C(=O)O)OC([C@@H]1O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Sugar acids
Distribution of Glucuronic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Glucuronic acid
External Links
Pubchem CID	94715
ChEBI ID	47952
KEGG ID	C00191
HMDB ID	HMDB0000127
Spectral data for Glucuronic acid standards
BMRB ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Glucuronic acid

Rxn ID	KEGG Reaction	Enzyme
R01184	myo-Inositol + Oxygen <=> D-Glucuronate + H2O	myo-Inositol:oxygen oxidoreductase
R01478	H2O + beta-D-Glucuronoside <=> D-Glucuronate + Alcohol	beta-D-glucuronoside glucuronosohydrolase
R01481	L-Gulonate + NADP+ <=> D-Glucuronate + NADPH + H+	L-gulonate:NADP+ 6-oxidoreductase
R08615	UDP-glucuronate + H2O <=> UDP + D-Glucuronate	UDP-glucuronate glucuronohydrolase

Table of KEGG human pathways containing Glucuronic acid

Pathway ID	Human Pathway	# of reactions
hsa00040	Pentose and glucuronate interconversions	2
hsa00053	Ascorbate and aldarate metabolism	2
hsa00562	Inositol phosphate metabolism	1