keto-L-sorbose (PAMDB120427)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120427
Identification
Name: keto-L-sorbose
Description:03 March 2008
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C6H12O6
Average Molecular Weight: 180.157
Monoisotopic Molecular Weight: 180.06339
InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N
InChI:InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1
CAS number: Not Available
IUPAC Name:keto-L-sorbose
Traditional IUPAC Name: Not Available
SMILES:C(O)C(=O)C(O)C(O)C(O)CO
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Monosaccharides
Alternative Parents
Substituents
  • Monosaccharide
  • Beta-hydroxy ketone
  • Acyloin
  • Alpha-hydroxy ketone
  • Secondary alcohol
  • Ketone
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • ketohexose (CHEBI:27922)
  • a D-hexose (TAGATOSE)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass180.1557ChemAxon
logP-3.3772ChemAxon
H-bond acceptors6ChemAxon
H-bond donors5ChemAxon
Rotatable bonds5ChemAxon
PSA118.2200ChemAxon
RO5 violations0ChemAxon
RO3 violations4ChemAxon
Refractivity36.9650ChemAxon
Atoms24ChemAxon
Rings0ChemAxon
Heavy atoms12ChemAxon
Hydrogen atoms12ChemAxon
Heteroatoms6ChemAxon
N/O atoms6ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers3ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers3ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
keto-L-sorbose + Acceptor → L-sorbosone + Donor-H2
keto-L-sorbose → CPD-9569
D-sorbitol + Acceptor → keto-L-sorbose + Donor-H2
Pathways:
Spectra
Spectra: Not Available
References
References:
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
METABOLIGHTSMTBLC13172
CHEBI13172