RefMet Compound Details

MW structure	52848 (View MW Metabolite Database details)
RefMet name	Maleylacetic acid
Systematic name	(2Z)-4-oxohex-2-enedioic acid
SMILES	C(=C\C(=O)O)\C(=O)CC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	158.021525 (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	C6H6O5	View other entries in RefMet with this formula
InChI	InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)/b2-1-
InChIKey	SOXXPQLIZIPMIZ-UPHRSURJSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Beta-keto acids
Sub Class	Beta-keto acids
Pubchem CID	5280500
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Maleylacetic acid

Rxn ID	KEGG Reaction	Enzyme
R08121	4-Fluoromuconolactone + H2O <=> 2-Maleylacetate + Hydrofluoric acid	4-fluoromuconolactone lactonohydrolase

Table of KEGG human pathways containing Maleylacetic acid

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	1