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L-Galactonate (M2MDB001771)

Record Information
Version2.0
Creation Date2012-07-30 14:55:31 -0600
Update Date2015-06-03 17:21:15 -0600
Secondary Accession Numbers
  • ECMDB21375
Identification
Name:L-Galactonate
DescriptionL-galactonate is a member of the chemical class known as Sugar Acids and Derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group. A galactonate that is the conjugate base of L-galactonic acid.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • Galactonate
  • Galactonic acid
  • L-Galactonic acid
Chemical Formula:C6H11O7
Weight:Average: 195.1473
Monoisotopic: 195.050477706
InChI Key:RGHNJXZEOKUKBD-RSJOWCBRSA-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:(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanoate
Traditional IUPAC Name:L-galactonate
SMILES:[H][C@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)C([O-])=O
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassMedium-chain hydroxy acids and derivatives
Direct ParentMedium-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 FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
State:Not Available
Charge:-1
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility520 g/LALOGPS
logP-2.1ALOGPS
logP-3.4ChemAxon
logS0.39ALOGPS
pKa (Strongest Acidic)3.39ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area141.28 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity49.11 m³·mol⁻¹ChemAxon
Polarizability16.61 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
L-Galactonate + NAD > Hydrogen ion + D-tagaturonate + NADH
L-Galactonate + NAD > NADH + Hydrogen ion + D-Tagaturonate
SMPDB Pathways:
hexuronide and hexuronate degradationPW000834 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways:Not Available
EcoCyc Pathways:
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0570-7900000000-f560793d3ed3057e15dcView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4r-9500000000-2f0f2b9dbb7a9cb0989eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0bt9-9100000000-eb8527e82c5465b3c7caView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01pk-1900000000-8f4466e2c31fc5df5647View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-7900000000-fb1ff76182429faa2abeView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9100000000-f2f9786f08bacce6ed71View in MoNA
References
References:
  • Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID53071
HMDB IDNot Available
Pubchem Compound ID44229140
Kegg IDC15930
ChemSpider ID26330589
Wikipedia IDNot Available
BioCyc IDCPD0-1083
EcoCyc IDCPD0-1083

Enzymes

Protein Details
1. Putative L-galactonate oxidoreductase
General function:
Involved in zinc ion binding
Specific function:
Putative L-galactonate oxidoreductase that is required for growth on L-galactonate as the sole carbon source
Gene Name:
yjjN
Uniprot ID:
P39400
Molecular weight:
36448

Transporters

Protein Details
1. L-galactonate transporter
General function:
Involved in transmembrane transport
Specific function:
Responsible for the transport of L-galactonate from the periplasm across the inner membrane (Probable). Is essential for growth on L-galactonate as the sole carbon source
Gene Name:
yjjL
Uniprot ID:
P39398
Molecular weight:
49440