Ligand
Ligand Name:   Dihydroxyacetone
Ligand Type:   saccharide
Ligand ID:   COVPDB137 PubChem:   670
Synonym(s):  
  •   1,3-dihydroxyacetone
  • 96-26-4
  • 1,3-dihydroxypropan-2-one
  • chromelin
  • 1,3-dihydroxy-2-propanone
  • otan
  • glycerone
  • triulose
  • viticolor
  • dihyxal
  • oxantin
  • oxatone
  • soleal
  • 2-propanone, 1,3-dihydroxy-
  • 1,3-dihydroxypropanone
  • 1,3-dihydroxydimethyl ketone
  • nsc-24343
  • ketochromin
  • bis(hydroxymethyl) ketone
  • dihydroxy-acetone
  • unii-o10ddw6joo
  • 2-propanone, 1,3-dihydroxy
  • brn 1740268
  • ai3-24477
  • dihydroxyacetone [usp]
  • mfcd00004670
  • o10ddw6joo
  • chebi:16016
  • dihydroxyacetone (usp)
  • vitadye
  • ccris 4899
  • einecs 202-494-5
  • dihydroxyacetone (monomer)
  • protosol
  • aliphatic ketone
  • hsdb 7513
  • chromelin (tn)
  • 1,3-dihydroxyaceton
  • 1.3-dihydroxyacetone
  • a,a'-dihydroxyacetone
  • pubchem4053
  • 1,3-dihyroxy-acetone
  • 1,3-dihydroxy-acetone
  • dihydroxy acetone
  • 1,3-dihydroxy acetone
  • 1,3-propanediol-2-one
  • 2-propanone,3-dihydroxy-
  • bmse000144
  • ec 202-494-5
  • alpha,alpha'-dihydroxyacetone
  • 1, 3-dihydroxypropan-2-one
  • 1,3-dihydroxy propan-2-one
  • 4-01-00-04119 (beilstein handbook reference)
  • 1,3-dihydroxyacetone (dha)
  • chembl1229937
  • ebd12067
  • nsc24343
  • anw-40801
  • cd0043
  • zinc84397769
  • akos005259385
  • cs-w019614
  • db01775
  • gs-3764
  • ls41177
  • ak-46682
  • sy038299
  • ft-0649652
  • v2093
  • c00184
  • d07841
  • q409618
  • j-503909
  • q-101302
  • f0001-2767
  • 08cb5e10-c843-45ee-8556-4313c8e0bea2
show 75 synonym(s)
DrugBank:   DB01775 ChEMBL:   CHEMBL1229937
Canonical SMILES:   OCC(=O)CO
Standard InChI:   InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
Molecular Formula:   C3H6O3 Mol. Weight:   90.03169 logP:   -1.4599
HBD:   2 HBA:   3
#Rotatable Bonds:   2 TPSA:   57.53

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
PTS-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit DhaK Q9CIV8 (DHAK_LACLA) Lactococcus lactis subsp. lactis (strain IL1403) (Streptococcus lactis) 3CT4 2HA
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SHOW
Probable transaldolase Q9HKI3 (TAL_THEAC) Thermoplasma acidophilum (strain ATCC 25905 / DSM 1728 / JCM 9062 / NBRC 15155 / AMRC-C165) 4XZ9 PDO
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SHOW