RefMet Compound Details

MW structure	37095 (View MW Metabolite Database details)
RefMet name	Fumaric acid
Systematic name	(2E)-but-2-enedioic acid
SMILES	C(=C\C(=O)O)/C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	116.010960 (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	C4H4O4	View other entries in RefMet with this formula
InChI	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChIKey	VZCYOOQTPOCHFL-OWOJBTEDSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	TCA acids
Sub Class	TCA acids
Pubchem CID	444972
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Fumaric acid

Rxn ID	KEGG Reaction	Enzyme
R00402	Succinate + NAD+ <=> Fumarate + NADH + H+	succinate:NAD+ oxidoreductase
R02164	Quinone + Succinate <=> Hydroquinone + Fumarate	succinate:quinone oxidoreductase
R01086	N-(L-Arginino)succinate <=> Fumarate + L-Arginine	2-(Nomega-L-arginino)succinate arginine-lyase (fumarate-forming)
R10660	Fumarate + Coenzyme M + Coenzyme B <=> Succinate + Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide	fumarate CoM:CoB oxidoreductase (succinate forming)
R01082	(S)-Malate <=> Fumarate + H2O	(S)-malate hydro-lyase (fumarate-forming)
R01083	N6-(1,2-Dicarboxyethyl)-AMP <=> Fumarate + AMP	N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming)

Table of KEGG human pathways containing Fumaric acid

Pathway ID	Human Pathway	# of reactions
hsa01200	Carbon metabolism	3
hsa00350	Tyrosine metabolism	2
hsa01100	Metabolic pathways	2
hsa00020	Citrate cycle (TCA cycle)	2
hsa01230	Biosynthesis of amino acids	1
hsa00220	Arginine biosynthesis	1
hsa00250	Alanine, aspartate and glutamate metabolism	1
hsa00620	Pyruvate metabolism	1