RefMet Compound Details

MW structure50464 (View MW Metabolite Database details)
RefMet name3-Sulfino-alanine
Systematic name3-sulfino-L-alanine
SMILESC([C@@H](C(=O)O)N)S(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass153.009581 (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
FormulaC3H7NO4SView other entries in RefMet with this formula
InChIInChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1
InChIKeyADVPTQAUNPRNPO-REOHCLBHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID1549098
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 3-Sulfino-alanine

Rxn IDKEGG ReactionEnzyme
R00893 L-Cysteine + Oxygen <=> 3-Sulfino-L-alanineL-Cysteine:oxygen oxidoreductase
R02466 3-Sulfino-L-alanine <=> Hypotaurine + CO23-sulfino-L-alanine carboxy-lyase
R02619 3-Sulfino-L-alanine + 2-Oxoglutarate <=> 3-Sulfinylpyruvate + L-Glutamate3-sulfino-L-alanine:2-oxoglutarate aminotransferase

Table of KEGG human pathways containing 3-Sulfino-alanine

Pathway IDHuman Pathway# of reactions
hsa00270 Cysteine and methionine metabolism 2
hsa00430 Taurine and hypotaurine metabolism 2
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