L-sorbosone (PAMDB120500)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120500
Identification
Name: L-sorbosone
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • (3S,4R,5S)-3,4,5,6-tetrahydroxy-2-oxohexanal
  • 1-dehydro-L-sorbose
  • 2-dehydro-L-gulose
  • L-sorbosone
Chemical Formula: C6H10O6
Average Molecular Weight: 178.141
Monoisotopic Molecular Weight: 178.04774
InChI Key: DCNMIDLYWOTSGK-KVQBGUIXSA-N
InChI:InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,4-6,8,10-12H,2H2/t4-,5+,6+/m0/s1
CAS number: Not Available
IUPAC Name:L-xylo-hexos-2-ulose
Traditional IUPAC Name: Not Available
SMILES:C(=O)C(C(C(C(CO)O)O)O)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Hexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Medium-chain aldehyde
  • Acyloin
  • Beta-hydroxy aldehyde
  • Beta-hydroxy ketone
  • Alpha-ketoaldehyde
  • Alpha-hydroxy ketone
  • Secondary alcohol
  • Ketone
  • Polyol
  • Organic oxide
  • Primary alcohol
  • Hydrocarbon derivative
  • Aldehyde
  • Alcohol
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • a tautomer, a sugar (L-SORBOSONE)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight178.14 g/molPubChem
XLogP3-AA-2.9 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count6 PubChem
Rotatable Bond Count5 PubChem
Exact Mass178.048 g/molPubChem
Monoisotopic Mass178.048 g/molPubChem
Topological Polar Surface Area115 A^2PubChem
Heavy Atom Count12 PubChem
Formal Charge0 PubChem
Complexity167 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count3 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:
keto-L-sorbose + Acceptor → L-sorbosone + Donor-H2
L-sorbosone → L-sorbosone 2,6-lactone
L-sorbosone → L-sorbosone 1,4-lactone
Pathways:
Spectra
Spectra: Not Available
References
References:
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
LIGAND-CPDC19679
PUBCHEM10921067
CHEBI48657