RefMet Compound Details

MW structure37049 (View MW Metabolite Database details)
RefMet namebeta-Alanine
Systematic name3-aminopropanoic acid
SMILESNCCC(O)=O
Exact mass89.047679 (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
FormulaC3H7NO2View other entries in RefMet with this formula
InChIInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKeyUCMIRNVEIXFBKS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID239
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving beta-Alanine

Rxn IDKEGG ReactionEnzyme
R01166 Carnosine + H2O <=> beta-Alanine + L-HistidineNalpha-(beta-alanyl)-L-histidine hydrolase
R00911 beta-Alanyl-L-lysine + H2O <=> beta-Alanine + L-Lysinebeta-Alanyl-L-lysine hydrolase
R03935 beta-Alanyl-L-arginine + H2O <=> beta-Alanine + Amino acid(Arg-)beta-Alanyl-L-arginine hydrolase
R00908 beta-Alanine + 2-Oxoglutarate <=> 3-Oxopropanoate + L-Glutamatebeta-alanine:2-oxoglutarate aminotransferase
R01164 ATP + L-Histidine + beta-Alanine <=> ADP + Orthophosphate + CarnosineL-histidine:beta-alanine ligase (ADP-forming)
R00489 L-Aspartate <=> beta-Alanine + CO2L-aspartate 1-carboxy-lyase (beta-alanine-forming)
R00910 ATP + L-Lysine + beta-Alanine <=> ADP + Orthophosphate + beta-Alanyl-L-lysineL-lysine:beta-alanine ligase (ADP-forming)
R00912 ATP + L-Arginine + beta-Alanine <=> ADP + Orthophosphate + beta-Alanyl-L-arginineL-arginine:beta-alanine ligase (ADP-forming)
R00907 L-Alanine + 3-Oxopropanoate <=> Pyruvate + beta-AlanineL-Alanine:3-oxopropanoate aminotransferase
R00904 3-Aminopropanal + NAD+ + H2O <=> beta-Alanine + NADH + H+3-aminopropanal:NAD+ oxidoreductase
R00905 3-Ureidopropionate + H2O <=> beta-Alanine + CO2 + Ammonia3-ureidopropanoate amidohydrolase

Table of KEGG human pathways containing beta-Alanine

Pathway IDHuman Pathway# of reactions
hsa00410 beta-Alanine metabolism 10
hsa00340 Histidine metabolism 3
hsa00770 Pantothenate and CoA biosynthesis 2
hsa00240 Pyrimidine metabolism 1
hsa00640 Propanoate metabolism 1
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