RefMet Compound Details

MW structure50464 (View MW Metabolite Database details)
RefMet name3-Sulfino-alanine
Systematic name3-sulfino-L-alanine
Canonical SMILESN[C@@H](CS(O)=O)C(O)=O
Exact mass153.0096View other entries in RefMet with this exact 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

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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