Showing Metabocard for 3-oxopropanoate (BASm0001868)

Common Name3-oxopropanoate
DescriptionMalonic semialdehyde is formed in the alternative pathway of propionate metabolism and in the catabolism of beta-alanine. Studies done on these pathways in cultured cells from a patient with mitochondrial malonyl-CoA decarboxylase deficiency show that malonic semialdehyde is directly converted into acetyl-CoA in man. (PMID: 6418146 ).
Structure
Molecular FormulaC3H4O3
Average Mass88.06210
Monoisotopic Mass88.01604
IUPAC Name3-oxopropanoic acid
Traditional Name3-oxopropanoic acid
CAS Registry Number926-61-4
SMILESO=CCC(=O)[O-]
InChI IdentifierInChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)
InChI KeyOAKURXIZZOAYBC-UHFFFAOYSA-N
CHEBI IDCHEBI:33190
HMDB IDHMDB0011111
Pathways
NameSMPDB/PathBank
Propanoate metabolism
beta-Alanine metabolism
Aspartate Metabolism
Canavan Disease
Hypoacetylaspartia
Malonic Aciduria
Methylmalonic Aciduria Due to Cobalamin-Related Disorders
GABA-Transaminase Deficiency
Ureidopropionase Deficiency
Carnosinuria, carnosinemia
Malonyl-coa decarboxylase deficiency
StateSolid
Water Solubility2.51e+02 g/l
logP-0.69
logS0.46
pKa (Strongest Acidic)3.76
pKa (Strongest Basic)-7.17
Hydrogen Acceptor Count3
Hydrogen Donor Count1
Polar Surface Area54.37 Ų
Rotatable Bond Count2
Physiological Charge-1
Formal Charge0
Refractivity18.06 m³·mol⁻¹
Polarizability7.27

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