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Showing Compound D-Glucose (FDB012530)

Record Information
Version1.0
Creation date2010-04-08 22:10:13 UTC
Update date2019-11-26 03:06:59 UTC
Primary IDFDB012530
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameD-Glucose
DescriptionD-Mannose belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. D-Mannose is an extremely weak basic (essentially neutral) compound (based on its pKa). D-Mannose is found, on average, in the highest concentration within corns. D-Mannose has also been detected, but not quantified in, several different foods, such as root vegetables, potato, pomes, cocoa beans, and guava. This could make D-mannose a potential biomarker for the consumption of these foods.
CAS Number50-99-7
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(+)-glucosebiospider
Anhydrous dextroseHMDB
CereloseHMDB
Cerelose 2001HMDB
Clearsweet 95HMDB
Clintose LHMDB
Corn sugarHMDB
CPC HydrateHMDB
D-(+)-glucosebiospider
D-GlcChEBI
D-GlcpChEBI
D(+)-glucosebiospider
DextropurHMDB
Dextrosemanual
DextrosolHMDB
GlucodinHMDB
GlucolinHMDB
GlucoseChEBI
GoldsugarHMDB
Grape sugarmanual
MeritoseHMDB
Roferose stHMDB
Staleydex 111HMDB
Staleydex 95mHMDB
Tabfine 097(hs)HMDB
VadexHMDB
Predicted Properties
PropertyValueSource
Water Solubility782 g/LALOGPS
logP-2.6ALOGPS
logP-3.6ChemAxon
logS0.64ALOGPS
pKa (Strongest Acidic)12.26ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area118.22 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity37.35 m³·mol⁻¹ChemAxon
Polarizability16.24 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC18H36O18
IUPAC name2,3,4,5,6-pentahydroxyhexanal; 5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol; 6-(hydroxymethyl)oxane-2,3,4,5-tetrol
InChI IdentifierInChI=1S/3C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5;7-1-2-3(8)4(9)5(10)6(11)12-2;7-1-3(9)5(11)6(12)4(10)2-8/h2*2-11H,1H2;1,3-6,8-12H,2H2
InChI KeyRSNKOBUPNHZUEV-UHFFFAOYSA-N
Isomeric SMILESOCC(O)C(O)C(O)C(O)C=O.OCC(O)C1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O
Average Molecular Weight540.4676
Monoisotopic Molecular Weight540.190164348
Classification
Description Belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentMedium-chain aldehydes
Alternative Parents
Substituents
  • Medium-chain aldehyde
  • Beta-hydroxy aldehyde
  • Monosaccharide
  • Oxane
  • Alpha-hydroxyaldehyde
  • Tetrahydrofuran
  • Hemiacetal
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 40.00%; H 6.71%; O 53.28%DFC
Melting Point146-150 oC
Boiling PointNot Available
Experimental Water Solubility1200 mg/mL at 30 oCMULLIN,JW (1972)
Experimental logP-3.24SANGSTER (1994)
Experimental pKapKa1 12.34 (25°)DFC
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
SpectraNot Available
ChemSpider ID5589
ChEMBL IDCHEMBL1222250
KEGG Compound IDC00031
Pubchem Compound ID5793
Pubchem Substance IDNot Available
ChEBI ID17634
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00122
CRC / DFC (Dictionary of Food Compounds) IDHHS40-R:HHS42-T
EAFUS ID870
Dr. Duke IDDEXTROSE
BIGG ID33582
KNApSAcK IDNot Available
HET ID1A47
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDGlucose
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
sweetener50505 Substance that sweeten food, beverages, medications, etc.DUKE
Enzymes
NameGene NameUniProt ID
Alpha-galactosidase AGLAP06280
Lactase-phlorizin hydrolaseLCTP09848
TrehalaseTREHO43280
Glycogen debranching enzymeAGLP35573
Sucrase-isomaltase, intestinalSIP14410
Lysosomal alpha-glucosidaseGAAP10253
Maltase-glucoamylase, intestinalMGAMO43451
Neutral alpha-glucosidase CGANCQ8TET4
Alpha-lactalbuminLALBAP00709
GlucosylceramidaseGBAP04062
GlucokinaseGCKP35557
Hexokinase-3HK3P52790
Hexokinase-2HK2P52789
Hexokinase-1HK1P19367
Non-lysosomal glucosylceramidaseGBA2Q9HCG7
Glucokinase regulatory proteinGCKRQ14397
Glucose-6-phosphataseG6PCP35575
Glucose-6-phosphatase 2G6PC2Q9NQR9
Neutral alpha-glucosidase ABGANABQ14697
Glucose-6-phosphate isomeraseGPIP06744
Solute carrier family 2, facilitated glucose transporter member 1SLC2A1P11166
Glucose-6-phosphatase 3G6PC3Q9BUM1
Pathways
NameSMPDB LinkKEGG Link
Galactose MetabolismSMP00043 map00052
GluconeogenesisSMP00128 map00010
Glucose-Alanine CycleSMP00127 Not Available
GlycolysisSMP00040 map00010
Lactose DegradationSMP00457 Not Available
Lactose SynthesisSMP00444 Not Available
Transfer of Acetyl Groups into MitochondriaSMP00466 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008).
— U.S. Department of Agriculture, Agricultural Research Service. 2008. USDA National Nutrient Database for Standard Reference, Release 21. Nutrient Data Laboratory Home Page.
— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).