RefMet Compound Details

RefMet IDRM0153922
MW structure1652 (View MW Metabolite Database details)
RefMet name2-Oxo-4-methylthiobutanoic acid   Species distribution   Sample source distribution
Alternative nameFA 6:2;O
Systematic name2-oxo-4-methylthio-butanoic acid
SMILESCSCCC(=O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass148.019417 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H8O3SView other entries in RefMet with this formula
InChIInChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChIKeySXFSQZDSUWACKX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassOxo FA
Pubchem CID473
ChEBI ID33574
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 2-Oxo-4-methylthiobutanoic acid

Rxn IDKEGG ReactionEnzyme
R00648 L-Methionine + H2O + Oxygen <=> 4-Methylthio-2-oxobutanoic acid + Ammonia + Hydrogen peroxideL-Methionine:oxygen oxidoreductase (deaminating)
R07364 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one + Oxygen <=> 4-Methylthio-2-oxobutanoic acid + Formate1,2-dihydroxy-5-(methylthio)pent-1-en-3-one:oxygen oxidoreductase (formate-forming)
R07396 4-Methylthio-2-oxobutanoic acid + L-Glutamate <=> L-Methionine + 2-Oxoglutarate4-Methylthio-2-oxobutanoic acid + L-Glutamate <=> L-Methionine + 2-Oxoglutarate
R12055 L-Methionine + Indolepyruvate <=> 4-Methylthio-2-oxobutanoic acid + L-TryptophanL-methionine:indole-3-pyruvic acid aminotransferase

Table of KEGG human pathways containing 2-Oxo-4-methylthiobutanoic acid

Pathway IDHuman Pathway# of reactions
hsa00270 Cysteine and methionine metabolism 3
hsa01100 Metabolic pathways 1
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