Ligand
Ligand Name:   3‐oxopropanoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB190 PubChem:   868
Synonym(s):  
  •   malonic semialdehyde
  • 926-61-4
  • formylacetic acid
  • malonaldehydic acid
  • unii-9k1t0u0r4c
  • 3-oxopropionic acid
  • malonate semialdehyde
  • 3-oxidanylidenepropanoic acid
  • 9k1t0u0r4c
  • propanoic acid, 3-oxo-
  • formyl acetic acid
  • 3-oxo-propionic acid
  • chebi:17960
  • dtxsid90239064
  • zinc895126
  • bcp29359
  • db-009272
  • ft-0745805
  • x2000
  • c00222
  • q27102737
  • norepinephrine impurity 22;malonic semialdehyde;propanoic acid, 3-oxo-;formylacetic acid
show 21 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OC(=O)CC=O
Standard InChI:   InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)
Molecular Formula:   C3H4O3 Mol. Weight:   88.016045 logP:   -0.34
HBD:   1 HBA:   2
#Rotatable Bonds:   2 TPSA:   54.37

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Pimeloyl-[acyl-carrier protein] methyl ester esterase P13001 (BIOH_ECOLI) Escherichia coli (strain K12) 1M33 3OH
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