L-sorbosone 1,4-lactone (PAMDB120051)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120051
Identification
Name: L-sorbosone 1,4-lactone
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • L-sorbosone furanose form
Chemical Formula: C6H10O6
Average Molecular Weight: 178.141
Monoisotopic Molecular Weight: 178.04774
InChI Key: MTSKWRIATJSKFJ-UHFFFAOYSA-N
InChI:InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5-9,11H,1H2
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(O)C(O)C1(C(O)C(=O)C(O)O1)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Pentoses
Alternative Parents
Substituents
  • Pentose monosaccharide
  • 3-furanone
  • Oxolane
  • Cyclic ketone
  • Secondary alcohol
  • Ketone
  • Hemiacetal
  • 1,2-diol
  • Oxacycle
  • Organoheterocyclic compound
  • Primary alcohol
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • a tautomer, a sugar (CPD-9055)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer25203461 PubChem
Molecular Weight178.14 g/molPubChem
XLogP3-AA-2.2 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count6 PubChem
Rotatable Bond Count2 PubChem
Exact Mass178.048 g/molPubChem
Monoisotopic Mass178.048 g/molPubChem
Topological Polar Surface Area107 A^2PubChem
Heavy Atom Count12 PubChem
Formal Charge0 PubChem
Complexity181 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count4 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
L-sorbosone 1,4-lactone + Acceptor → L-ascorbate + Donor-H2 + Hydrogen ion
L-sorbosone → L-sorbosone 1,4-lactone
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
PUBCHEM25203461