keto-D-fructose (PAMDB110557)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110557
Identification
Name: keto-D-fructose
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • a D-hexopyranose'
  • WIDTH
  • 176);" onmouseout="return nd();">a D-hexose → D-fructose
all carbohydrates → a carbohydrate → a glycan → a sugar → a monosaccharide → a hexose → fructose → D-fructose
all carbohydrates → a carbohydrate → a glycan → a sugar → a monosaccharide → a ketose
Chemical Formula: C6H12O6 Average Molecular Weight: 180.0633881178Monoisotopic Molecular Weight: 180.0633881178InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-NInChI: 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-/m1/s1CAS number: Not AvailableIUPAC Name:Not Available Traditional IUPAC Name: Not AvailableSMILES: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 Molecular Framework Aliphatic acyclic compoundsExternal Descriptors Physical PropertiesState: Not AvailableCharge:Not Available Melting point: Not AvailableExperimental Properties: Not AvailablePredicted 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 PropertiesCellular Locations: Not AvailableReactions:
Pathways: