Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110617
Identification
Name: L-idonate
Description:An optically active form of idonate having L-configuration; major species at pH 7.3.
Structure
Thumb
Synonyms:
  • L-idonic acid
  • (R)-idonate
Chemical Formula: C6H11O7
Average Molecular Weight: 195.15
Monoisotopic Molecular Weight: 196.0583027399
InChI Key: RGHNJXZEOKUKBD-SKNVOMKLSA-M
InChI: InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3+,4-,5+/m0/s1
CAS number: Not Available
IUPAC Name:L-idonate
Traditional IUPAC Name: Not Available
SMILES:C(O)C(O)C(O)C(O)C(O)C(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Hydroxy acids and derivatives
Sub ClassMedium-chain hydroxy acids and derivatives
Direct Parent Medium-chain hydroxy acids and derivatives
Alternative Parents
Substituents
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Fatty acyl
  • Fatty acid
  • Monosaccharide
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Polyol
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Organic oxygen compound
  • Organooxygen compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • a small molecule (L-IDONATE)
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer5459956 PubChem
Molecular Weight195.147 g/molPubChem
XLogP3-AA-2.7 PubChem
Hydrogen Bond Donor Count5 PubChem
Hydrogen Bond Acceptor Count7 PubChem
Rotatable Bond Count4 PubChem
Exact Mass195.05 g/molPubChem
Monoisotopic Mass195.05 g/molPubChem
Topological Polar Surface Area141 A^2PubChem
Heavy Atom Count13 PubChem
Formal Charge-1 PubChem
Complexity165 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count4 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
CAS1114-17-6
ChEBI17796
ChemSpider4573673
IAF126035934
KEGGC00770
PubChem5459956