Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110064
Identification
Name: 2-dehydro-3-deoxy-L-arabinonate
Description:Not Available
Structure
Thumb
Synonyms:
  • 2-keto-3-deoxy-L-lyxonate
  • 2-dehydro-3-deoxy-L-xylonate
  • 2-dehydro-3-deoxy-L-pentonate
Chemical Formula: C5H7O5
Average Molecular Weight: 148.0371733673
Monoisotopic Molecular Weight: 148.0371733673
InChI Key: UQIGQRSJIKIPKZ-GSVOUGTGSA-M
InChI: InChI=1S/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)/p-1/t3-/m1/s1
CAS number: Not Available
IUPAC Name:(4R)-4,5-dihydroxy-2-oxopentanoate
Traditional IUPAC Name: Not Available
SMILES:C(O)C(O)CC(=O)C(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Keto acids and derivatives
Sub ClassShort-chain keto acids and derivatives
Direct Parent Short-chain keto acids and derivatives
Alternative Parents
Substituents
  • Short-chain keto acid
  • Alpha-keto acid
  • Beta-hydroxy ketone
  • Secondary alcohol
  • Ketone
  • 1,2-diol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Primary alcohol
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • a small molecule (CPD-1134)
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight147.106 g/molPubChem
XLogP3-AA-1 PubChem
Hydrogen Bond Donor Count2 PubChem
Hydrogen Bond Acceptor Count5 PubChem
Rotatable Bond Count3 PubChem
Exact Mass147.029 g/molPubChem
Monoisotopic Mass147.029 g/molPubChem
Topological Polar Surface Area97.7 A^2PubChem
Heavy Atom Count10 PubChem
Formal Charge-1 PubChem
Complexity136 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count1 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CAS3495-27-0
ChEBI35173
ChemSpider5256740
KEGGC00684
PubChem6857400