RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153927
RefMet name	Glucaric acid
Systematic name	2S,3S,4S,5R-tetrahydroxy-hexanedioic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 6:1;O6	View other entries in RefMet with this sum composition
Exact mass	210.037570 (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	C6H10O8	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2024 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
InChIKey	DSLZVSRJTYRBFB-LLEIAEIESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	[C@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)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 Glucaric 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 Glucaric acid
External Links
Pubchem CID	33037
LIPID MAPS	LMFA01170108
ChEBI ID	16002
KEGG ID	C00818
HMDB ID	HMDB0000663
Chemspider ID	30577
Spectral data for Glucaric acid standards
BMRB ID(NMR)	View NMR spectra
NP-MRD 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 Glucaric acid

Rxn ID	KEGG Reaction	Enzyme
R02957	D-Glucuronolactone + NAD+ + 2 H2O <=> D-Glucarate + NADH + H+	D-Glucuronolactone:NAD+ oxidoreductase

Table of KEGG human pathways containing Glucaric acid

Pathway ID	Human Pathway	# of reactions
hsa00053	Ascorbate and aldarate metabolism	1