RefMet Compound Details

MW structure	2032 (View MW Metabolite Database details)
RefMet name	Oxaloacetic acid
Systematic name	2-oxo-butanedioic acid
SMILES	C(C(=O)C(=O)O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	132.005875 (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	C4H4O5	View other entries in RefMet with this formula
InChI	InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
InChIKey	KHPXUQMNIQBQEV-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	TCA acids
Sub Class	TCA acids
Pubchem CID	970
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Oxaloacetic acid

Rxn ID	KEGG Reaction	Enzyme
R00344	ATP + Pyruvate + HCO3- <=> ADP + Orthophosphate + Oxaloacetate	Pyruvate:carbon-dioxide ligase (ADP-forming)
R12212	Oxaloacetate + 2 Sodium cation <=> Pyruvate + CO2 + 2 Sodium cation	oxaloacetate carboxy-lyase (pyruvate-forming
R00342	(S)-Malate + NAD+ <=> Oxaloacetate + NADH + H+	(S)-malate:NAD+ oxidoreductase
R00345	Orthophosphate + Oxaloacetate <=> H2O + Phosphoenolpyruvate + CO2	phosphate:oxaloacetate carboxy-lyase (adding phosphate
R00217	Oxaloacetate <=> Pyruvate + CO2	oxaloacetate carboxy-lyase (pyruvate-forming)
R00343	(S)-Malate + NADP+ <=> Oxaloacetate + NADPH + H+	(S)-malate:NADP+ oxidoreductase
R00726	ITP + Oxaloacetate <=> IDP + Phosphoenolpyruvate + CO2	ITP:oxaloacetate carboxy-lyase (adding ITP
R00431	GTP + Oxaloacetate <=> GDP + Phosphoenolpyruvate + CO2	GTP:oxaloacetate carboxy-lyase (adding GTP
R00348	2-Oxosuccinamate + H2O <=> Oxaloacetate + Ammonia	2-oxosuccinamate amidohydrolase
R00359	D-Aspartate + H2O + Oxygen <=> Oxaloacetate + Ammonia + Hydrogen peroxide	D-Aspartate:oxygen oxidoreductase (deaminating)
R00357	L-Aspartate + H2O + Oxygen <=> Oxaloacetate + Ammonia + Hydrogen peroxide	L-Aspartic acid:oxygen oxidoreductase (deaminating)
R00341	ATP + Oxaloacetate <=> ADP + Phosphoenolpyruvate + CO2	ATP:oxaloacetate carboxy-lyase (transphosphorylating
R00355	L-Aspartate + 2-Oxoglutarate <=> Oxaloacetate + L-Glutamate	L-Aspartate:2-oxoglutarate aminotransferase
R00361	(S)-Malate + Quinone <=> Oxaloacetate + Hydroquinone	(S)-malate:quinone oxidoreductase
R00346	Diphosphate + Oxaloacetate <=> Orthophosphate + Phosphoenolpyruvate + CO2	diphosphate:oxaloacetate carboxy-lyase (transphosphorylating
R00351	Citrate + CoA <=> Acetyl-CoA + H2O + Oxaloacetate	acetyl-CoA:oxaloacetate C-acetyltransferase (thioester-hydrolysing)

Table of KEGG human pathways containing Oxaloacetic acid

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	9
hsa00020	Citrate cycle (TCA cycle)	6
hsa00250	Alanine, aspartate and glutamate metabolism	4
hsa00620	Pyruvate metabolism	4
hsa01200	Carbon metabolism	3
hsa01230	Biosynthesis of amino acids	3
hsa00630	Glyoxylate and dicarboxylate metabolism	2
hsa00010	Glycolysis / Gluconeogenesis	2
hsa01210	2-Oxocarboxylic acid metabolism	2
hsa00220	Arginine biosynthesis	1