Record Information
Version1.0
Creation date2020-04-20 17:28:00 UTC
Update date2020-09-17 15:40:21 UTC
Primary IDFDB112175
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameGlucose 1-phosphate
DescriptionGlucose 1-phosphate, also known as cori ester or GLC-1-p, belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. A D-Glucose 1-phosphate in which the phosphate group is located at position 1. Glucose 1-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Glucose 1-phosphate exists in all living species, ranging from bacteria to humans. Within humans, glucose 1-phosphate participates in a number of enzymatic reactions. In particular, uridine diphosphategalactose and glucose 1-phosphate can be converted into galactose 1-phosphate and uridine diphosphate glucose through the action of the enzyme galactose-1-phosphate uridylyltransferase. In addition, glucose 1-phosphate and uridine triphosphate can be biosynthesized from uridine diphosphate glucose through its interaction with the enzyme UTP--glucose-1-phosphate uridylyltransferase. In humans, glucose 1-phosphate is involved in galactose metabolism. Glucose 1-phosphate is a potentially toxic compound.
CAS NumberNot Available
Structure
Thumb
Synonyms
SynonymSource
1-O-Phosphono-D-glucopyranoseChEBI
Cori esterChEBI
D-Glucose 1-phosphateChEBI
GLC-1-pChEBI
D-Glucose 1-phosphoric acidGenerator
Glucose 1-phosphoric acidGenerator
a-D-Glucopyranosyl phosphateHMDB
a-D-Glucose 1-phosphateHMDB
alpha-D-Glucopyranosyl phosphateHMDB
alpha-D-Glucose 1-phosphateHMDB
alpha-D-Glucose-1-phosphateHMDB
alpha-delta-Glucopyranosyl phosphateHMDB
alpha-delta-Glucose 1-phosphateHMDB
alpha-delta-Glucose-1-phosphateHMDB
D-Glucopyranose 1-phosphateHMDB
D-Glucose-1-pHMDB
D-Glucose-1-phosphateHMDB
delta-Glucopyranose 1-phosphateHMDB
delta-Glucose 1-phosphateHMDB
delta-Glucose-1-pHMDB
delta-Glucose-1-phosphateHMDB
Glucose monophosphateHMDB
Glucose-1-phosphateHMDB
Glucose-1PHMDB
Galactose 1-phosphoric acidHMDB
Predicted Properties
PropertyValueSource
Water Solubility32.3 g/LALOGPS
logP-2ALOGPS
logP-3.1ChemAxon
logS-0.91ALOGPS
pKa (Strongest Acidic)1.16ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity46.8 m³·mol⁻¹ChemAxon
Polarizability20.65 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC6H13O9P
IUPAC name{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
InChI IdentifierInChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
InChI KeyHXXFSFRBOHSIMQ-GASJEMHNSA-N
Isomeric SMILESOC[C@H]1OC(OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Average Molecular Weight260.1358
Monoisotopic Molecular Weight260.029718526
Classification
Description Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentMonosaccharide phosphates
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Oxane
  • Alkyl phosphate
  • Phosphoric acid ester
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSGlucose 1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0002-9110000000-ee60e23a7f8053dae6d3Spectrum
Predicted GC-MSGlucose 1-phosphate, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-003r-5591470000-4932aa0d35a53458633dSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated)splash10-0a4i-0390000000-9e3307d6125b74ed8579Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated)splash10-05mk-2960000000-4950cd68ef81b4267967Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated)splash10-0230-5970000000-4c2745937c6f87f89f17Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-03di-0090000000-3c372084bb61e1ef4257Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 0V, positivesplash10-0002-0090000000-90411431cffd98ebe09fSpectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 1V, positivesplash10-0002-0090000000-9f2b4a83b1e7bad0b54bSpectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 2V, positivesplash10-0002-0290000000-0701b77382bb89dff4e2Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 4V, positivesplash10-000j-0980000000-3f1ea14f9deeb0503ccbSpectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 5V, positivesplash10-000i-0920000000-1563a20c1e81bd3e405bSpectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-0f79-0960000000-861f86d1031c9d86f753Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 4V, positivesplash10-000i-0009000000-89f3bc29378643fb7eb7Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 6V, positivesplash10-000i-0109000000-cdd8143c3ba06849c689Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 10V, positivesplash10-05g0-0905000000-51b42ad0609cced943eaSpectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 13V, positivesplash10-05fr-0900000000-6d206170422cec07547cSpectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 17V, positivesplash10-05fr-0900000000-96d8b3ec28a5f4f92dfdSpectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-01b9-0509000000-83bba45a888d3e2c8b46Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-006t-9600000000-e6e68c22e3002384468fSpectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-0a4i-0900000000-58fa2680157a4d69ead7Spectrum
MS/MSLC-MS/MS Spectrum - n/a 18V, positivesplash10-00di-0911000000-611d985a6a959222f903Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9240000000-0a7885872856fe43526bSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9240000000-b437590c213fb263989dSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0532-9100000000-97504a02d14244b901cbSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a6r-9360000000-98c3aee1d36863dc12abSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9110000000-92ad15ffc9eae3eed039Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-dfc211275bafe42581aeSpectrum
NMR
TypeDescriptionView
1D NMR13C NMR SpectrumSpectrum
1D NMR1H NMR SpectrumSpectrum
2D NMR[1H,1H] 2D NMR SpectrumSpectrum
2D NMR[1H,13C] 2D NMR SpectrumSpectrum
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference