2HA

Dihydroxyacetone

Created: 2003-07-15
Last modified:  2020-06-29

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Chemical Details

Formal Charge0
Atom Count12
Chiral Atom Count0
Bond Count11
Aromatic Bond Count0
2D diagram of 2HA
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Chemical Component Summary

NameDihydroxyacetone
Systematic Name (OpenEye OEToolkits)1,3-dihydroxypropan-2-one
FormulaC3 H6 O3
Molecular Weight90.078
TypeSACCHARIDE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(CO)CO
SMILESCACTVS3.341OCC(=O)CO
SMILESOpenEye OEToolkits1.5.0C(C(=O)CO)O
Canonical SMILESCACTVS3.341 OCC(=O)CO
Canonical SMILESOpenEye OEToolkits1.5.0 C(C(=O)CO)O
InChIInChI1.03 InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
InChIKeyInChI1.03 RXKJFZQQPQGTFL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB01775 
NameDihydroxyacetone
Groups experimental
DescriptionA ketotriose compound. Its addition to blood preservation solutions results in better maintenance of 2,3-diphosphoglycerate levels during storage. It is readily phosphorylated to dihydroxyacetone phosphate by triokinase in erythrocytes. In combination with naphthoquinones it acts as a sunscreening agent. [PubChem]
SynonymsDihydroxyacetone
Categories
  • Carbohydrates
  • Ketoses
  • Monosaccharides
  • Trioses
CAS number96-26-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Dihydroxyacetone kinaseMSQFFFNQRTHLVSDVIDGAIIASPWNNLARLESDPAIRIVVRRDLNKNN...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 670
ChEMBL CHEMBL1229937
ChEBI CHEBI:16016
CCDC/CSD NADQOZ