RefMet Compound Details

RefMet ID	RM0135894
MW structure	37105 (View MW Metabolite Database details)
RefMet name	Malic acid
Systematic name	(2S)-2-hydroxybutanedioic acid
SMILES	C([C@@H](C(=O)O)O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	134.021525 (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	C4H6O5	View other entries in RefMet with this formula
InChI	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey	BJEPYKJPYRNKOW-REOHCLBHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	TCA acids
Sub Class	TCA acids
Pubchem CID	222656
ChEBI ID	30797
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Malic acid

Rxn ID	KEGG Reaction	Enzyme
R00214	(S)-Malate + NAD+ <=> Pyruvate + CO2 + NADH + H+	(S)-malate:NAD+ oxidoreductase (decarboxylating)
R00216	(S)-Malate + NADP+ <=> Pyruvate + CO2 + NADPH + H+	(S)-Malate:NADP+ oxidoreductase(oxaloacetate-decarboxylating)
R00342	(S)-Malate + NAD+ <=> Oxaloacetate + NADH + H+	(S)-malate:NAD+ oxidoreductase
R00343	(S)-Malate + NADP+ <=> Oxaloacetate + NADPH + H+	(S)-malate:NADP+ oxidoreductase
R00361	(S)-Malate + Quinone <=> Oxaloacetate + Hydroquinone	(S)-malate:quinone oxidoreductase
R01082	(S)-Malate <=> Fumarate + H2O	(S)-malate hydro-lyase (fumarate-forming)

Table of KEGG human pathways containing Malic acid

Pathway ID	Human Pathway	# of reactions
hsa00620	Pyruvate metabolism	4
hsa00020	Citrate cycle (TCA cycle)	2
hsa01100	Metabolic pathways	2
hsa01200	Carbon metabolism	2
hsa00630	Glyoxylate and dicarboxylate metabolism	1