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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2006-08-12 19:09:59 UTC
Update Date2021-09-14 15:44:46 UTC
HMDB IDHMDB0003345
Secondary Accession Numbers
  • HMDB0061922
  • HMDB03345
  • HMDB61922
Metabolite Identification
Common Namealpha-D-Glucose
Descriptionalpha-D-Glucose, also known as alpha-dextrose or alpha-D-GLC, belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. alpha-D-Glucose exists in all living species, ranging from bacteria to humans. Outside of the human body, alpha-D-Glucose has been detected, but not quantified in several different foods, such as lemon grass, sourdoughs, mixed nuts, sweet rowanberries, and ginsengs. This could make alpha-D-glucose a potential biomarker for the consumption of these foods. D-Glucopyranose having alpha-configuration at the anomeric centre.
Structure
Data?1588798025
Synonyms
ValueSource
alpha-D-GLCChEBI
alpha-DextroseChEBI
a-D-GLCGenerator
Α-D-GLCGenerator
a-DextroseGenerator
Α-dextroseGenerator
a-D-GlucoseGenerator
Α-D-glucoseGenerator
a-D-GlucopyranoseHMDB
a-GlucoseHMDB
alpha-D-GlucopyranoseHMDB
alpha-delta-GlucopyranoseHMDB
alpha-delta-GlucoseHMDB
alpha-GlucoseHMDB
HexopyranoseHMDB
Anhydrous dextroseHMDB
D GlucoseHMDB
D-GlucoseHMDB
DextroseHMDB
Dextrose, anhydrousHMDB
GlucoseHMDB
Glucose monohydrateHMDB
Glucose, (DL)-isomerHMDB
Glucose, (L)-isomerHMDB
Glucose, (alpha-D)-isomerHMDB
Glucose, (beta-D)-isomerHMDB
L GlucoseHMDB
L-GlucoseHMDB
Monohydrate, glucoseHMDB
1,3-alpha-D-GlucanHMDB
alpha-1,3-GlucanHMDB
alpha-D-GlucopyranosideHMDB
Chemical FormulaC6H12O6
Average Molecular Weight180.1559
Monoisotopic Molecular Weight180.063388116
IUPAC Name(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Traditional Nameα-glucose
CAS Registry Number492-62-6
SMILES
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChI KeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Route of exposure

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point146 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility500 mg/mL at 20 °CNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility782 g/LALOGPS
logP10(-2.6) g/LALOGPS
logP10(-2.9) g/LChemAxon
logS10(0.64) g/LALOGPS
pKa (Strongest Acidic)11.3ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area110.38 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity35.92 m³·mol⁻¹ChemAxon
Polarizability16.09 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+139.40131661259
DarkChem[M-H]-135.92631661259

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
alpha-D-GlucoseOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O3448.8Standard polar33892256
alpha-D-GlucoseOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O1916.4Standard non polar33892256
alpha-D-GlucoseOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O1649.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
alpha-D-Glucose,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O1738.4Semi standard non polar33892256
alpha-D-Glucose,1TMS,isomer #2C[Si](C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O1673.8Semi standard non polar33892256
alpha-D-Glucose,1TMS,isomer #3C[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O1683.6Semi standard non polar33892256
alpha-D-Glucose,1TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O1688.3Semi standard non polar33892256
alpha-D-Glucose,1TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O1678.0Semi standard non polar33892256
alpha-D-Glucose,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O1722.4Semi standard non polar33892256
alpha-D-Glucose,2TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C1681.6Semi standard non polar33892256
alpha-D-Glucose,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1737.0Semi standard non polar33892256
alpha-D-Glucose,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1742.6Semi standard non polar33892256
alpha-D-Glucose,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1712.2Semi standard non polar33892256
alpha-D-Glucose,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O1701.4Semi standard non polar33892256
alpha-D-Glucose,2TMS,isomer #6C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[Si](C)(C)C)[C@@H]1O1703.5Semi standard non polar33892256
alpha-D-Glucose,2TMS,isomer #7C[Si](C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C1679.6Semi standard non polar33892256
alpha-D-Glucose,2TMS,isomer #8C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@@H]1CO1697.1Semi standard non polar33892256
alpha-D-Glucose,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO)[C@H]1O1692.2Semi standard non polar33892256
alpha-D-Glucose,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1703.6Semi standard non polar33892256
alpha-D-Glucose,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)O[C@H](CO)[C@H]1O[Si](C)(C)C1736.7Semi standard non polar33892256
alpha-D-Glucose,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1753.4Semi standard non polar33892256
alpha-D-Glucose,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1717.5Semi standard non polar33892256
alpha-D-Glucose,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1748.2Semi standard non polar33892256
alpha-D-Glucose,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1766.0Semi standard non polar33892256
alpha-D-Glucose,3TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1701.0Semi standard non polar33892256
alpha-D-Glucose,3TMS,isomer #7C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)O[C@@H]1CO1733.4Semi standard non polar33892256
alpha-D-Glucose,3TMS,isomer #8C[Si](C)(C)O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O1739.0Semi standard non polar33892256
alpha-D-Glucose,3TMS,isomer #9C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1725.4Semi standard non polar33892256
alpha-D-Glucose,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1815.5Semi standard non polar33892256
alpha-D-Glucose,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1815.2Semi standard non polar33892256
alpha-D-Glucose,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1820.5Semi standard non polar33892256
alpha-D-Glucose,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1819.4Semi standard non polar33892256
alpha-D-Glucose,4TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1800.9Semi standard non polar33892256
alpha-D-Glucose,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1877.4Semi standard non polar33892256
alpha-D-Glucose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O2002.6Semi standard non polar33892256
alpha-D-Glucose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O1940.1Semi standard non polar33892256
alpha-D-Glucose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O1940.5Semi standard non polar33892256
alpha-D-Glucose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O1947.1Semi standard non polar33892256
alpha-D-Glucose,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O1943.8Semi standard non polar33892256
alpha-D-Glucose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O2208.7Semi standard non polar33892256
alpha-D-Glucose,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2181.6Semi standard non polar33892256
alpha-D-Glucose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2210.9Semi standard non polar33892256
alpha-D-Glucose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2219.8Semi standard non polar33892256
alpha-D-Glucose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2197.5Semi standard non polar33892256
alpha-D-Glucose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O2193.9Semi standard non polar33892256
alpha-D-Glucose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2195.0Semi standard non polar33892256
alpha-D-Glucose,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2180.7Semi standard non polar33892256
alpha-D-Glucose,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@@H]1CO2190.8Semi standard non polar33892256
alpha-D-Glucose,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@H](CO)[C@H]1O2192.8Semi standard non polar33892256
alpha-D-Glucose,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2441.4Semi standard non polar33892256
alpha-D-Glucose,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C2455.2Semi standard non polar33892256
alpha-D-Glucose,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2449.6Semi standard non polar33892256
alpha-D-Glucose,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2445.1Semi standard non polar33892256
alpha-D-Glucose,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2466.7Semi standard non polar33892256
alpha-D-Glucose,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2468.7Semi standard non polar33892256
alpha-D-Glucose,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2439.7Semi standard non polar33892256
alpha-D-Glucose,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CO2451.3Semi standard non polar33892256
alpha-D-Glucose,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2451.2Semi standard non polar33892256
alpha-D-Glucose,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2454.9Semi standard non polar33892256
alpha-D-Glucose,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2671.4Semi standard non polar33892256
alpha-D-Glucose,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2668.4Semi standard non polar33892256
alpha-D-Glucose,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2664.4Semi standard non polar33892256
alpha-D-Glucose,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2681.0Semi standard non polar33892256
alpha-D-Glucose,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2669.4Semi standard non polar33892256
alpha-D-Glucose,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2890.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - alpha-D-Glucose GC-MS (Non-derivatized) - 70eV, Positivesplash10-0np0-9700000000-e8d638dc817e46b97d7b2016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha-D-Glucose GC-MS (5 TMS) - 70eV, Positivesplash10-004i-6122690000-eaf6f7adf34ccd0c667b2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - alpha-D-Glucose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - alpha-D-Glucose Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-000i-9100000000-53278ff57ca00e1b5d1a2012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - alpha-D-Glucose Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0079-9000000000-c4182c64988208ac78b02012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - alpha-D-Glucose 10V, Negative-QTOFsplash10-0a4i-9100000000-57ee067515dbaeec1e272021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - alpha-D-Glucose 35V, Negative-QTOFsplash10-0ab9-9100000000-311a61760b7c0dc3a7e12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - alpha-D-Glucose 35V, Negative-QTOFsplash10-0ab9-9100000000-f2beec08615d57ac1a022021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - alpha-D-Glucose 35V, Negative-QTOFsplash10-0ab9-9100000000-eb694004566014e0b2672021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - alpha-D-Glucose 20V, Negative-QTOFsplash10-0a4i-9000000000-906b2fd231873b000e082021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - alpha-D-Glucose 40V, Negative-QTOFsplash10-0a4i-9000000000-3cd19dc7a445df26b86d2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 10V, Positive-QTOFsplash10-01q9-0900000000-b0bc47623e7b2ca31c022016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 20V, Positive-QTOFsplash10-03ea-3900000000-648e1637af29cf2a35182016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 40V, Positive-QTOFsplash10-0007-9200000000-9e6f46a1cbf52d6e347a2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 10V, Negative-QTOFsplash10-004i-2900000000-a4ec4f0b1e29e360a9522016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 20V, Negative-QTOFsplash10-01t9-6900000000-7b3ea9c64ecc8d4ac8672016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 40V, Negative-QTOFsplash10-052f-9100000000-ec2bf4918640a0a363982016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 10V, Positive-QTOFsplash10-01qa-0900000000-04ceb34d441ff6a757632021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 20V, Positive-QTOFsplash10-03dl-9400000000-a8f1ceab155611f949c12021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 40V, Positive-QTOFsplash10-01ow-9000000000-358f68fc2b7a72c275462021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 10V, Negative-QTOFsplash10-004i-2900000000-2448926b508622464fe72021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 20V, Negative-QTOFsplash10-056r-8900000000-4c073cb93b78120113e62021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - alpha-D-Glucose 40V, Negative-QTOFsplash10-0a4l-9000000000-ece70093ab5d3c331ac42021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Feces
  • Saliva
Tissue Locations
  • Epidermis
  • Intestine
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedNormal details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
    • Zerihun T. Dame, ...
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleGout details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Femaleankylosing spondylitis details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Femalerheumatoid arthritis details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Irritable bowel syndrome
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Irritable bowel syndrome
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Ulcerative colitis
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Irritable Bowel Syndrome
details
Associated Disorders and Diseases
Disease References
Irritable bowel syndrome
  1. Ponnusamy K, Choi JN, Kim J, Lee SY, Lee CH: Microbial community and metabolomic comparison of irritable bowel syndrome faeces. J Med Microbiol. 2011 Jun;60(Pt 6):817-27. doi: 10.1099/jmm.0.028126-0. Epub 2011 Feb 17. [PubMed:21330412 ]
  2. Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8. [PubMed:21761941 ]
  3. Hong YS, Hong KS, Park MH, Ahn YT, Lee JH, Huh CS, Lee J, Kim IK, Hwang GS, Kim JS: Metabonomic understanding of probiotic effects in humans with irritable bowel syndrome. J Clin Gastroenterol. 2011 May-Jun;45(5):415-25. doi: 10.1097/MCG.0b013e318207f76c. [PubMed:21494186 ]
Ulcerative colitis
  1. Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8. [PubMed:21761941 ]
Gout
  1. Shao T, Shao L, Li H, Xie Z, He Z, Wen C: Combined Signature of the Fecal Microbiome and Metabolome in Patients with Gout. Front Microbiol. 2017 Feb 21;8:268. doi: 10.3389/fmicb.2017.00268. eCollection 2017. [PubMed:28270806 ]
Rheumatoid arthritis
  1. Tie-juan ShaoZhi-xing HeZhi-jun XieHai-chang LiMei-jiao WangCheng-ping Wen. Characterization of ankylosing spondylitis and rheumatoid arthritis using 1H NMR-based metabolomics of human fecal extracts. Metabolomics. April 2016, 12:70 [Link]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB011829
KNApSAcK IDC00001122
Chemspider ID71358
KEGG Compound IDC00267
BioCyc IDALPHA-GLUCOSE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6897
PubChem Compound79025
PDB IDNot Available
ChEBI ID17925
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceSimmons, Blake A.; Volponi, Joanne V.; Ingersoll, David; Walker, Andrew. Conversion of sucrose to b-D-glucose using three-stage immobilized enzyme process. U.S. (2007), 12pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Onyshchenko AM, Korobkova KS, Kovalenko NK, Kasumova SO, Skrypal' IH: [The role of the carbohydrate composition of the glycocalyx in some species of lactobacilli in the manifestation of their adhesive properties]. Mikrobiol Z. 1999 Nov-Dec;61(6):22-8. [PubMed:10733280 ]
  2. Georgiou S, Pasmatzi E, Monastirli A, Sakkis T, Alachioti S, Tsambaos D: Age-related alterations in the carbohydrate residue composition of the cell surface in the unexposed normal human epidermis. Gerontology. 2005 May-Jun;51(3):155-60. [PubMed:15832040 ]
  3. Skrypal' IH, Tokovenko IP, Malynovs'ka LP: [Carbohydrate receptors for Mycoplasma fermentans adhesion on human epithelial tissues]. Mikrobiol Z. 1995 Jul-Aug;57(4):17-22. [PubMed:8548067 ]
  4. Dalmau SR, Freitas CS: Sugar inhibition of the lectin jacalin: comparison of three assays. Braz J Med Biol Res. 1989;22(5):601-10. [PubMed:2620170 ]
  5. Van Cleve JW: Improved preparation of methyl 4,6-O-benzylidene-alpha-d-glucopyranoside. Carbohydr Res. 1971 Apr;17(2):461-4. [PubMed:5150910 ]
  6. Yariv J, Kalb AJ, Levitzki A: The interaction of concanavalin A with methyl alpha-D-glucopyranoside. Biochim Biophys Acta. 1968 Sep 3;165(2):303-5. [PubMed:5683533 ]
  7. Binder TP, Robyt JF: p-Nitrophenyl alpha-D-glucopyranoside, a new substrate for glucansucrases. Carbohydr Res. 1983 Dec 23;124(2):287-99. [PubMed:6671201 ]
  8. Farnback M, Eriksson L, Widmalm G: Methyl 3-O-beta-L-fucopyranosyl alpha-D-glucopyranoside trihydrate. Acta Crystallogr C. 2003 Mar;59(Pt 3):o171-3. Epub 2003 Feb 28. [PubMed:12711799 ]
  9. Pan Q, Noll BC, Serianni AS: Methyl 4-O-beta-D-galactopyranosyl alpha-D-glucopyranoside (methyl alpha-lactoside). Acta Crystallogr C. 2005 Dec;61(Pt 12):o674-7. Epub 2005 Nov 11. [PubMed:16330845 ]
  10. Christiane Godl, Thornthan Sawangwan, Bernd Nidetzky, Mario Muller, 'Method For Producing 2-O-Glyceryl-Alpha-D-Glucopyranoside.' U.S. Patent US20090318372, issued December 24, 2009. [Link]
  11. Wan S. Kim, Seo Y. Jeong, James C. McRea, 'Amido-phenyl-.alpha.-D-glucopyranoside derivatives.' U.S. Patent US4536572, issued August, 1983. [Link]
  12. Shoji Usami, Kohtaro Kirimura, Hiroyuki Nakagawa, Yukio Dobashi, Masaaki Yoshiyama, Susumu Shimura, Yoshio Ito, 'Method of producing 1-menthyl- .alpha.-D-glucopyranoside.' U.S. Patent US6277602, issued September, 1996. [Link]

Only showing the first 10 proteins. There are 24 proteins in total.

Enzymes

General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
Gene Name:
AKR1B1
Uniprot ID:
P15121
Molecular weight:
35853.125
Reactions
Sorbitol + NADP → alpha-D-Glucose + NADPH + Hydrogen Iondetails
General function:
Involved in catalytic activity
Specific function:
Involved primarily in ATP hydrolysis at the plasma membrane. Plays a role in regulating pyrophosphate levels, and functions in bone mineralization and soft tissue calcification. In vitro, has a broad specificity, hydrolyzing other nucleoside 5' triphosphates such as GTP, CTP, TTP and UTP to their corresponding monophosphates with release of pyrophosphate and diadenosine polyphosphates, and also 3',5'-cAMP to AMP. May also be involved in the regulation of the availability of nucleotide sugars in the endoplasmic reticulum and Golgi, and the regulation of purinergic signaling. Appears to modulate insulin sensitivity.
Gene Name:
ENPP1
Uniprot ID:
P22413
Molecular weight:
104923.58
General function:
Involved in ATP binding
Specific function:
Catalyzes the initial step in utilization of glucose by the beta-cell and liver at physiological glucose concentration. Glucokinase has a high Km for glucose, and so it is effective only when glucose is abundant. The role of GCK is to provide G6P for the synthesis of glycogen. Pancreatic glucokinase plays an important role in modulating insulin secretion. Hepatic glucokinase helps to facilitate the uptake and conversion of glucose by acting as an insulin-sensitive determinant of hepatic glucose usage.
Gene Name:
GCK
Uniprot ID:
P35557
Molecular weight:
52191.07
Reactions
Adenosine triphosphate + alpha-D-Glucose → ADP + Glucose 6-phosphatedetails
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
HK3
Uniprot ID:
P52790
Molecular weight:
99024.56
Reactions
Adenosine triphosphate + alpha-D-Glucose → ADP + Glucose 6-phosphatedetails
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
HK2
Uniprot ID:
P52789
Molecular weight:
102379.06
Reactions
Adenosine triphosphate + alpha-D-Glucose → ADP + Glucose 6-phosphatedetails
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
HK1
Uniprot ID:
P19367
Molecular weight:
102485.1
Reactions
Adenosine triphosphate + alpha-D-Glucose → ADP + Glucose 6-phosphatedetails
General function:
Involved in catalytic activity
Specific function:
Plays an important role in the final stage of carbohydrate digestion. Isomaltase activity is specific for both alpha-1,4- and alpha-1,6-oligosaccharides.
Gene Name:
SI
Uniprot ID:
P14410
Molecular weight:
Not Available
Reactions
Sucrose + Water → D-Fructose + alpha-D-Glucosedetails
Isomaltose + Water → alpha-D-Glucose + D-Glucosedetails
Dextrin + Water → alpha-D-Glucose + Dextrindetails
Neohancoside D + Water → D-Fructose + alpha-D-Glucosedetails
+ Water → alpha-D-Glucose + details
General function:
Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:
LPH splits lactose in the small intestine.
Gene Name:
LCT
Uniprot ID:
P09848
Molecular weight:
218584.77
Reactions
beta-Lactose + Water → alpha-D-Glucose + beta-D-Galactosedetails
General function:
Involved in catalytic activity
Specific function:
Multifunctional enzyme acting as 1,4-alpha-D-glucan:1,4-alpha-D-glucan 4-alpha-D-glycosyltransferase and amylo-1,6-glucosidase in glycogen degradation.
Gene Name:
AGL
Uniprot ID:
P35573
Molecular weight:
Not Available
Reactions
Starch + Water → Amylose + alpha-D-Glucosedetails
General function:
Involved in phosphotransferase activity, alcohol group as acceptor
Specific function:
Catalyzes the phosphorylation of D-glucose to D-glucose 6-phosphate using ADP as the phosphate donor. GDP and CDP can replace ADP, but with reduced efficiency (By similarity).
Gene Name:
ADPGK
Uniprot ID:
Q9BRR6
Molecular weight:
53960.185
Reactions
alpha-D-Glucose + ADP → Glucose 6-phosphate + Adenosine monophosphatedetails

Only showing the first 10 proteins. There are 24 proteins in total.