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Identification
NameFructose
Accession NumberDB04173  (EXPT01495)
TypeSmall Molecule
GroupsExperimental
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
External Identifiers Not Available
Approved Prescription ProductsNot Available
Approved Generic Prescription ProductsNot Available
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International Brands
NameCompany
FructosterilFresenius
LevugenBaxter
lnulonNot Available
Brand mixtures
NameLabellerIngredients
Anti NauseaRite Aid Corporation
Emetrol CherryWell Spring Pharmaceutical Corporation
Equaline Anti NauseaSupervalu Inc
Equate Anti NauseaWal Mart Stores Inc
Formula EmMajor Pharmaceuticals
Good Neighbor Pharmacy Anti NauseaAmerisource Bergen
Good Sense Anti NauseaL Perrigo Company
Good Sense Nausea ReliefL. Perrigo Company
Health Mart Anti NauseaMc Kesson
Leader Anti NauseaCardinal Health
Leader Nausea ReliefCardinal Health
Nausea ReliefRite Aid Corporation
NauzeneAlva Amco Pharmacal Companies, Inc.
Signature Care Anti NauseaSafeway
Smart Sense Nausea ReliefKmart Corporation
Sunmark Anti NauseaMcKesson
SaltsNot Available
Categories
UNII6YSS42VSEV
CAS numberNot Available
WeightAverage: 180.1559
Monoisotopic: 180.063388116
Chemical FormulaC6H12O6
InChI KeyInChIKey=RFSUNEUAIZKAJO-AZGQCCRYSA-N
InChI
InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m0/s1
IUPAC Name
(2S,3R,4R,5S)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
SMILES
OC[C@@H]1O[C@@](O)(CO)[[email protected]](O)[[email protected]]1O
Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganooxygen compounds
ClassCarbohydrates and carbohydrate conjugates
Sub ClassGlycosyl compounds
Direct ParentC-glycosyl compounds
Alternative Parents
Substituents
  • C-glycosyl compound
  • Monosaccharide
  • Oxolane
  • Secondary alcohol
  • Polyol
  • Hemiacetal
  • 1,2-diol
  • Oxacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Pharmacology
IndicationNot Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
ADMET
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption-0.6923
Blood Brain Barrier+0.7551
Caco-2 permeable-0.8511
P-glycoprotein substrateNon-substrate0.6415
P-glycoprotein inhibitor INon-inhibitor0.9343
P-glycoprotein inhibitor IINon-inhibitor0.9704
Renal organic cation transporterNon-inhibitor0.8814
CYP450 2C9 substrateNon-substrate0.8519
CYP450 2D6 substrateNon-substrate0.8504
CYP450 3A4 substrateNon-substrate0.6607
CYP450 1A2 substrateNon-inhibitor0.9365
CYP450 2C9 inhibitorNon-inhibitor0.9507
CYP450 2D6 inhibitorNon-inhibitor0.9575
CYP450 2C19 inhibitorNon-inhibitor0.9252
CYP450 3A4 inhibitorNon-inhibitor0.9846
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9767
Ames testNon AMES toxic0.9391
CarcinogenicityNon-carcinogens0.9398
BiodegradationReady biodegradable0.6874
Rat acute toxicity1.0362 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9772
hERG inhibition (predictor II)Non-inhibitor0.9115
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397 )
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage forms
FormRouteStrength
Liquidoral
Solutionoral
Syruporal
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility1110.0 mg/mLALOGPS
logP-2.5ALOGPS
logP-2.8ChemAxon
logS0.79ALOGPS
pKa (Strongest Acidic)10.28ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area110.38 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity36.36 m3·mol-1ChemAxon
Polarizability16.29 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Mass Spec (NIST)Not Available
SpectraNot Available
References
Synthesis Reference

Larry W. Peckous, “Integrated process for producing crystalline fructose and a high-fructose, liquid phase sweetener.” U.S. Patent US5656094, issued 0000.

US5656094
General ReferencesNot Available
External Links
ATC CodesV06DC02
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available

Targets

Kind
Protein
Organism
Human
Pharmacological action
unknown
General Function:
Ubiquitin protein ligase binding
Specific Function:
Cleaves P(1)-P(3)-bis(5'-adenosyl) triphosphate (Ap3A) to yield AMP and ADP. Can also hydrolyze P(1)-P(4)-bis(5'-adenosyl) tetraphosphate (Ap4A), but has extremely low activity with ATP. Modulates transcriptional activation by CTNNB1 and thereby contributes to regulate the expression of genes essential for cell proliferation and survival, such as CCND1 and BIRC5. Plays a role in the induction o...
Gene Name:
FHIT
Uniprot ID:
P49789
Molecular Weight:
16858.11 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
unknown
General Function:
Virus receptor activity
Specific Function:
Involved in the transport of maltose and maltodextrins, indispensable for translocation of dextrins containing more than three glucosyl moieties. A hydrophobic path ("greasy slide") of aromatic residues serves to guide and select the sugars for transport through the channel. Also acts as a receptor for several bacteriophages including lambda.
Gene Name:
lamB
Uniprot ID:
P02943
Molecular Weight:
49912.005 Da
Comments
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Drug created on June 13, 2005 07:24 / Updated on August 17, 2016 12:24