RefMet Compound Details

RefMet ID	RM0155912
MW structure	49880 (View MW Metabolite Database details)
RefMet name	Glucuronic acid
Systematic name	(2S,3S,4S,5R)-3,4,5,6-tetrakis(oxidanyl)oxane-2-carboxylic acid
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)
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
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
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Sugar acids
Pubchem CID	94715
ChEBI ID	47952
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