RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0009088
RefMet name	Oxalosuccinic acid
Systematic name	1-oxopropane-1,2,3-tricarboxylic acid
Synonyms	PubChem Synonyms
Exact mass	190.011355 (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	C6H6O7	View other entries in RefMet with this formula
Molecular descriptors
Molfile	56573 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-/m0/s1
InChIKey	UFSCUAXLTRFIDC-REOHCLBHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H](C(=O)C(=O)O)C(=O)O)C(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	TCA acids
Sub Class	TCA acids
Distribution of Oxalosuccinic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Oxalosuccinic acid
External Links
Pubchem CID	5496597
ChEBI ID	44712
KEGG ID	C05379
HMDB ID	HMDB0003974
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 Oxalosuccinic acid

Rxn ID	KEGG Reaction	Enzyme
R00268	Oxalosuccinate <=> 2-Oxoglutarate + CO2	oxalosuccinate carboxy-lyase (2-oxoglutarate-forming)
R01899	Isocitrate + NADP+ <=> Oxalosuccinate + NADPH + H+	Isocitrate:NADP+ oxidoreductase

Table of KEGG human pathways containing Oxalosuccinic acid

Pathway ID	Human Pathway	# of reactions
hsa00020	Citrate cycle (TCA cycle)	2
hsa01210	2-Oxocarboxylic acid metabolism	2