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Record Information
Version1.0
Creation Date2016-07-13 19:41:14 UTC
Update Date2016-07-20 20:49:10 UTC
LmdbLMDB00048
Secondary Accession NumbersNone
Metabolite Identification
Common NameD-Glucose
DescriptionGlucose is a monosaccharide containing six carbon atoms and an aldehyde group and is therefore referred to as an aldohexose. The glucose molecule can exist in an open-chain (acyclic) and ring (cyclic) form, the latter being the result of an intramolecular reaction between the aldehyde C atom and the C-5 hydroxyl group to form an intramolecular hemiacetal. In water solution both forms are in equilibrium and at pH 7 the cyclic one is the predominant. Glucose is a primary source of energy for living organisms. It is naturally occurring and is found in fruits and other parts of plants in its free state. In animals glucose arises from the breakdown of glycogen in a process known as glycogenolysis. Glucose is synthesized in the liver and kidneys from non-carbohydrate intermediates, such as pyruvate and glycerol, by a process known as gluconeogenesis.
Structure
Thumb
Synonyms
ValueSource
D-GLCChEBI
D-GLCPChEBI
DextroseChEBI
GLC-OHChEBI
GlucoseChEBI
Grape sugarChEBI
D-GlucopyranoseKegg
Roferose STHMDB
(+)-GlucoseHMDB
Anhydrous dextroseHMDB
CereloseHMDB
Cerelose 2001HMDB
Clearsweet 95HMDB
Clintose LHMDB
Corn sugarHMDB
CPC HydrateHMDB
D(+)-GlucoseHMDB
DextropurHMDB
DextrosolHMDB
GlucodinHMDB
GlucolinHMDB
GoldsugarHMDB
MeritoseHMDB
Staleydex 111HMDB
Staleydex 95mHMDB
Tabfine 097(HS)HMDB
VadexHMDB
D GlucoseHMDB
Glucose, (DL)-isomerHMDB
Glucose, (L)-isomerHMDB
Glucose, (beta-D)-isomerHMDB
Glucose monohydrateHMDB
Glucose, (alpha-D)-isomerHMDB
L GlucoseHMDB
L-GlucoseHMDB
Dextrose, anhydrousHMDB
Monohydrate, glucoseHMDB
Chemical FormulaC6H12O6
Average Molecular Weight180.1559
Monoisotopic Molecular Weight180.063388116
IUPAC Name(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Traditional Nameglucose
CAS Registry Number50-99-7
SMILES
OC[C@H]1OC(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-GASJEMHNSA-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
StatusDetected and Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2.6ALOGPS
logP-2.9ChemAxon
logS0.64ALOGPS
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
Polarizability16.37 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-00kb-1931000000-ec21c3af97621f7bf95aView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-0fr2-1920000000-f53c5f0d5ad84d32679fView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS; 1 MEOX)splash10-00di-9821000000-dbc697213e3b7cc9d4feView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS; 1 MEOX)splash10-00di-9621000000-9d1d8057758d3da8cacaView in MoNA
GC-MSGC-MS Spectrum - GC-MS (4 TMS)splash10-014i-2490000000-3ed4c4fd34c05bad95f7View in MoNA
GC-MSGC-MS Spectrum - GC-MS (1 MEOX; 5 TMS)splash10-066r-1952000000-3378cb724e551e8b0267View in MoNA
GC-MSGC-MS Spectrum - GC-MS (5 TMS)splash10-0udl-0690000000-c8fda4276ff69235f30dView in MoNA
GC-MSGC-MS Spectrum - GC-MS (1 MEOX; 5 TMS)splash10-0ldi-1942000000-5d531ed23a4e82023d1cView in MoNA
GC-MSGC-MS Spectrum - GC-MS (5 TMS)splash10-0udi-0790000000-7ebe75cd633c58d761faView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-00kb-1931000000-ec21c3af97621f7bf95aView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0fr2-1920000000-f53c5f0d5ad84d32679fView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-00di-9821000000-dbc697213e3b7cc9d4feView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-00di-9621000000-9d1d8057758d3da8cacaView in MoNA
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-014i-2490000000-3ed4c4fd34c05bad95f7View in MoNA
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-066r-1952000000-3378cb724e551e8b0267View in MoNA
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0udl-0690000000-c8fda4276ff69235f30dView in MoNA
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0ldi-1942000000-5d531ed23a4e82023d1cView in MoNA
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0udi-0790000000-7ebe75cd633c58d761faView in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0np0-9700000000-e8d638dc817e46b97d7bView in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positivesplash10-004i-6122690000-eaf6f7adf34ccd0c667bView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, N/A (Annotated)splash10-0002-9300000000-839f41cf94a071fcdb37View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, N/A (Annotated)splash10-0002-9000000000-807f75d14f3d0b66f5bdView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, N/A (Annotated)splash10-000t-9000000000-b89668f86992a8363664View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negativesplash10-000i-7900000000-9a673c2e4b82ca397421View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negativesplash10-0a4r-9100000000-b70415588e768ddce5efView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negativesplash10-0a4i-9000000000-73dc84dd88d8ae69fe02View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negativesplash10-0a4i-9000000000-ba39d4ed9431a1d01eabView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negativesplash10-0a4i-9000000000-a61efd1469735758b317View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , negativesplash10-000i-7900000000-9a673c2e4b82ca397421View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , negativesplash10-0a4r-9100000000-9c25b149885d8a48aab5View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , negativesplash10-0a4i-9000000000-76d92ea96364c24ecfb0View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , negativesplash10-0a4i-9000000000-ba39d4ed9431a1d01eabView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , negativesplash10-0a4i-9000000000-a61efd1469735758b317View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01q9-0900000000-b0bc47623e7b2ca31c02View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03ea-3900000000-648e1637af29cf2a3518View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0007-9200000000-9e6f46a1cbf52d6e347aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-2900000000-a4ec4f0b1e29e360a952View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-01t9-6900000000-7b3ea9c64ecc8d4ac867View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-052f-9100000000-ec2bf4918640a0a36398View in MoNA
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
2D NMR[1H,13C] 2D NMR SpectrumNot AvailableView in JSpectraViewer
Biological Properties
Cellular LocationsNot Available
Biofluid Locations and Tissue Locations
  • Cerebrospinal Fluid (CSF)
  • Colostrum
  • Feces
  • Follicular Fluid
  • Kidney perfusate
  • Lung
  • Meat
  • Milk
  • Plasma
  • Ruminal Fluid
  • Serum
  • Synovial Fluid
  • Urine
  • Vitreous Humour
Concentrations
BiofluidStatusValueConditionSpeciesReferenceDetails
Cerebrospinal Fluid (CSF)Detected but not QuantifiedNot ApplicableNot AvailableOvine details
ColostrumDetected but not QuantifiedNot ApplicableNot AvailableBovine details
ColostrumDetected but not QuantifiedNot ApplicableNot AvailableBovine
    • S. F. Graham, T. ...
details
FecesDetected but not QuantifiedNot ApplicableNot AvailableEquine
    • E. E. Escalona, J...
details
Follicular FluidDetected and Quantified377.451-2414.575 uMNot AvailableBovine
    • C. Lutwak-Mann. N...
details
Follicular FluidDetected and Quantified2053.777 +/- 222.0299 uMNot AvailablePorcine details
Kidney perfusateDetected but not QuantifiedNot ApplicableNot AvailablePorcine details
LungDetected and Quantified1.40+/-0.15 umol/gNot AvailablePorcine details
MeatDetected but not QuantifiedNot ApplicableNot AvailableBovine details
MeatDetected but not QuantifiedNot ApplicableNot AvailableBovine
    • S. F. Graham, T. ...
details
MeatDetected and Quantified5.59+/-2.35 umol/gNot AvailableBovine
    • S. F. Graham, T. ...
details
MeatDetected and Quantified5.64+/-2.87 umol/gNot AvailableBovine
    • S. F. Graham, T. ...
details
MeatDetected and Quantified6.00+/-2.47 umol/gNot AvailableBovine
    • S. F. Graham, T. ...
details
MeatDetected and Quantified6.31+/-0.85 umol/gNot AvailableBovine
    • S. F. Graham, T. ...
details
MilkDetected and Quantified62.723 uMNot AvailableBovine details
MilkDetected but not QuantifiedNot ApplicableNot AvailableBovine details
MilkDetected but not QuantifiedNot ApplicableNot AvailableBovine details
MilkDetected but not QuantifiedNot ApplicableNot AvailableBovine
    • Kurt J. Boudonck,...
details
MilkDetected and Quantified76-662 uMNot AvailableBovine details
PlasmaDetected and Quantified4390 +/- 160-5080+/-280 uMNot AvailablePorcine details
PlasmaDetected and Quantified2941.896 +/- 253.114 uMNot AvailableBovine
    • Abdullah BAŞOĞLU,...
details
PlasmaDetected and Quantified4196.365 +/- 505.118 uMNot AvailableBovine
    • C. R. E. Cogginsa...
details
PlasmaDetected and Quantified4507.207 +/- 212.0386 uMNot AvailableBovine
    • Abdullah BAŞOĞLU,...
details
PlasmaDetected and Quantified6805.217 +/- 757.122 uMNot AvailableBovine
    • Abdullah BAŞOĞLU,...
details
PlasmaDetected and Quantified3860-7810 uMNot AvailablePorcine details
PlasmaDetected but not QuantifiedNot ApplicableNot AvailableBovine details
PlasmaDetected but not QuantifiedNot ApplicableNot AvailableBovine details
PlasmaDetected but not QuantifiedNot ApplicableNot AvailableOvine details
PlasmaDetected but not QuantifiedNot ApplicableNot AvailableBovine details
PlasmaDetected but not QuantifiedNot ApplicableNot AvailableBovine details
PlasmaDetected but not QuantifiedNot ApplicableNot AvailablePorcine details
PlasmaDetected but not QuantifiedNot ApplicableNot AvailablePorcine details
PlasmaDetected but not QuantifiedNot ApplicableNot AvailableBovine details
PlasmaDetected but not QuantifiedNot ApplicableNot AvailableEquine details
PlasmaDetected but not QuantifiedNot ApplicableNot AvailableBovine
    • Trabi M, Keller M...
details
PlasmaDetected but not QuantifiedNot ApplicableNot AvailableEquine
    • E. E. Escalona, J...
details
PlasmaDetected and Quantified3430-4620 uMNot AvailablePorcine
    • Jianxiang XU,Deng...
details
PlasmaDetected and Quantified4090 +/- 150-3910+/-120 uMNot AvailablePorcine details
PlasmaDetected and Quantified4940 +/- 1280-4990+/-1140 uMNot AvailablePorcine details
PlasmaDetected and Quantified5110 +/- 490-5030+/-70 uMNot AvailablePorcine details
Ruminal FluidDetected and Quantified580 uMNot AvailableBovine
    • Burim NA, Qendrim...
details
Ruminal FluidDetected and Quantified720 uMNot AvailableBovine
    • Burim NA, Qendrim...
details
Ruminal FluidDetected and Quantified2090 uMNot AvailableBovine
    • Burim NA, Qendrim...
details
Ruminal FluidDetected and Quantified2090 uMNot AvailableBovine
    • Burim NA, Qendrim...
details
Ruminal FluidDetected and Quantified520 uMNot AvailableBovine details
Ruminal FluidDetected and Quantified750 uMNot AvailableBovine details
Ruminal FluidDetected and Quantified1100 uMNot AvailableBovine details
Ruminal FluidDetected and Quantified2430 uMNot AvailableBovine details
Ruminal FluidDetected and Quantified1,806 +/- 1,305 uMNot AvailableBovine
    • Saleem F, Bouatra...
details
Ruminal FluidDetected and Quantified490 +/- 127 uMNot AvailableBovine
    • Saleem F, Bouatra...
details
Ruminal FluidDetected and Quantified523 +/- 130 uMNot AvailableBovine
    • Saleem F, Bouatra...
details
Ruminal FluidDetected and Quantified549 +/- 97 uMNot AvailableBovine
    • Saleem F, Bouatra...
details
Ruminal FluidDetected and Quantified549 +/- 97 uMNot AvailableBovine
    • Saleem F, Bouatra...
details
Ruminal FluidDetected and Quantified996 +/- 334 uMNot AvailableBovine
    • Saleem F, Bouatra...
details
Ruminal FluidDetected and Quantified400 uMNot AvailableBovine details
SerumDetected and Quantified4533.851-4546.618 uMNot AvailableOvine
    • Edson Ferraz Evar...
details
SerumDetected and Quantified5080 uMNot AvailablePorcine details
SerumDetected and Quantified6860 uMNot AvailablePorcine details
SerumDetected and Quantified8070 +/- 1410 uMNot AvailablePorcine details
SerumDetected and Quantified5780 +/- 920 uMNot AvailablePorcine details
SerumDetected and Quantified8070 +/- 1410 uMNot AvailablePorcine details
SerumDetected and Quantified8620 +/- 1590 uMNot AvailablePorcine details
SerumDetected but not QuantifiedNot ApplicableNot AvailableBovine details
SerumDetected but not QuantifiedNot ApplicableNot AvailablePorcine details
SerumDetected but not QuantifiedNot ApplicableNot AvailablePorcine details
SerumDetected but not QuantifiedNot ApplicableNot AvailableBovine details
SerumDetected but not QuantifiedNot ApplicableNot AvailableBovine details
SerumDetected but not QuantifiedNot ApplicableNot AvailableBovine details
SerumDetected but not QuantifiedNot ApplicableNot AvailableOvine details
SerumDetected but not QuantifiedNot ApplicableNot AvailableOvine details
SerumDetected and Quantified3702.349 uMNot AvailableBovine
    • M.J. Abarghuei, Y...
details
SerumDetected and Quantified3807.813 uMNot AvailableBovine
    • M.J. Abarghuei, Y...
details
SerumDetected and Quantified4013.191 uMNot AvailableBovine
    • M.J. Abarghuei, Y...
details
SerumDetected and Quantified4213.0177 uMNot AvailableBovine
    • M.J. Abarghuei, Y...
details
SerumDetected and Quantified5939.300 +/- 555.0748 uMNot AvailablePorcine details
SerumDetected and Quantified5550 uMNot AvailableBovine details
SerumDetected and Quantified5570 uMNot AvailableBovine details
SerumDetected and Quantified7900 uMNot AvailablePorcine
    • Barbara U. Metzle...
details
SerumDetected and Quantified8800 uMNot AvailablePorcine
    • Barbara U. Metzle...
details
SerumDetected and Quantified7600 uMNot AvailablePorcine
    • Barbara U. Metzle...
details
SerumDetected and Quantified9200 uMNot AvailablePorcine
    • Barbara U. Metzle...
details
Synovial FluidDetected but not QuantifiedNot ApplicableNot AvailableOvine details
UrineDetected but not QuantifiedNot ApplicableNot AvailableBovine details
UrineDetected but not QuantifiedNot ApplicableNot AvailableBovine details
UrineDetected but not QuantifiedNot ApplicableNot AvailablePorcine details
UrineDetected but not QuantifiedNot ApplicableNot AvailableOvine details
UrineDetected but not QuantifiedNot ApplicableNot AvailablePorcine
    • Federica Murgia, ...
details
UrineDetected but not QuantifiedNot ApplicableNot AvailableEquine
    • E. E. Escalona, J...
details
Vitreous HumourDetected but not QuantifiedNot ApplicableNot AvailableCaprine details
DrugBank IDNot Available
HMDB IDHMDB0000122
FooDB IDFDB012530
Phenol Explorer IDNot Available
KNApSAcK IDC00001122
BiGG ID33582
BioCyc IDD-Glucose
METLIN ID133
PDB IDNot Available
Wikipedia LinkGlucose
Chemspider ID5589
ChEBI ID4167
PubChem Compound ID5793
Kegg Compound IDC00031
YMDB IDYMDB00286
ECMDB IDECMDB00122
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available