Ligand
Ligand Name:   1-hydroxypropan-2-one
Ligand Type:   non-polymer
Ligand ID:   COVPDB243 PubChem:   8299
Synonym(s):  
  •   hydroxyacetone
  • acetol
  • 116-09-6
  • 2-propanone, 1-hydroxy-
  • 1-hydroxy-2-propanone
  • acetone alcohol
  • 1-hydroxyacetone
  • methanol, acetyl-
  • acetylmethanol
  • acetylcarbinol
  • hydroxypropanone
  • hydroxy-2-propanone
  • methylketol
  • pyruvinalcohol
  • pyruvic alcohol
  • monohydroxyacetone
  • unii-7i7ym0835w
  • acetomethanol
  • 2-ketopropyl alcohol
  • 1-hydroxy-propan-2-one
  • 7i7ym0835w
  • mfcd00004669
  • hydroxyacetone, technical
  • 2-oxopropanol
  • hydroxymethyl methyl ketone
  • einecs 204-124-8
  • nsc 102497
  • brn 0605368
  • hydroxy acetone
  • hydroxy-acetone
  • hydroxyl acetone
  • hydroxyl-acetone
  • ai3-37788
  • 2-proponol
  • 2-oxopropyl alcohol
  • hydroxypropan-2-one
  • 1-hydroxyacetone #
  • 1-hydroxy-2-acetone
  • 1-oxidanylpropan-2-one
  • ch3coch2oh
  • acmc-2099rv
  • ch3c(o)ch2oh
  • wln: q1v1
  • hydroxyacetone, >=95%, fg
  • dtxsid8051590
  • chebi:27957
  • xlsmfkstngkwqx-uhfffaoysa-
  • zinc895664
  • hy-y1366
  • anw-16937
  • bbl011436
  • nsc102497
  • stl146544
  • akos000269101
  • mcule-2989526028
  • nsc-102497
  • u243
  • db-003685
  • ak00235244
  • cs-0017823
  • ft-0627141
  • c05235
  • a803556
  • j-003383
  • q20236702
  • f0001-0286
  • hydroxyacetone contains =500 ppm sodium carbonate as stabilizer
  • hydroxyacetone, contains <=500 ppm sodium carbonate as stabilizer, technical grade, 90%
show 67 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(=O)CO
Standard InChI:   InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
Molecular Formula:   C3H6O2 Mol. Weight:   74.03678 logP:   -0.4323
HBD:   1 HBA:   2
#Rotatable Bonds:   1 TPSA:   37.3

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Fructose-6-phosphate aldolase 1 P78055 (FSAA_ECOLI) Escherichia coli (strain K12) 5ZOL 4Y8
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