Record Information
Version2.0
Creation Date2012-07-30 14:54:53 -0600
Update Date2015-06-03 17:20:51 -0600
Secondary Accession Numbers
  • ECMDB21197
Identification
Name:D-Allose 6-phosphate
DescriptionAllose-6-phosphate is an ester of allose with phosphoric acid,, made in the course of allose metabolism. Allose is an aldohexose sugar. It is a relatively rare monosaccharide.
Structure
Thumb
Synonyms:
  • 6-O-Phosphono-D-allose
  • A-D-Glucose 6- phosphate
  • a-D-Glucose 6- phosphoric acid
  • a-D-Glucose 6-phosphate
  • a-D-Glucose 6-phosphoric acid
  • a-D-Hexose 6-phosphate
  • a-D-Hexose 6-phosphoric acid
  • Alpha-D-Glucose 6- phosphate
  • alpha-D-Glucose 6- phosphoric acid
  • Alpha-D-Glucose 6-phosphate
  • alpha-D-Glucose 6-phosphoric acid
  • Alpha-D-Hexose 6-phosphate
  • alpha-D-Hexose 6-phosphoric acid
  • D(+)-Glucopyranose 6-phosphate
  • D(+)-Glucopyranose 6-phosphoric acid
  • D-Allose 6-(hydrogen phosphate)
  • D-Allose 6-(hydrogen phosphoric acid)
  • D-Allose 6-phosphate
  • D-Allose 6-phosphoric acid
  • D-Allose-6-P
  • D-Glucose 6-phosphate
  • D-Glucose 6-phosphoric acid
  • D-Glucose-6-dihydrogen phosphate
  • D-Glucose-6-dihydrogen phosphoric acid
  • D-Hexose 6-phosphate
  • D-Hexose 6-phosphoric acid
  • Glucose 6-phosphate
  • Glucose 6-phosphoric acid
  • Glucose-6-phosphate
  • Glucose-6-phosphoric acid
  • Robison ester
  • α-D-Glucose 6- phosphate
  • α-D-Glucose 6- phosphoric acid
  • α-D-Glucose 6-phosphate
  • α-D-Glucose 6-phosphoric acid
  • α-D-Hexose 6-phosphate
  • α-D-Hexose 6-phosphoric acid
Chemical Formula:C6H13O9P
Weight:Average: 260.1358
Monoisotopic: 260.029718526
InChI Key:NBSCHQHZLSJFNQ-IVMDWMLBSA-N
InChI:InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1
CAS number:56-73-5
IUPAC Name:{[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name:[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonic acid
SMILES:OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@H]1O
Chemical Taxonomy
Description belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexose phosphates
Alternative Parents
Substituents
  • Hexose phosphate
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Oxane
  • Phosphoric acid ester
  • Hemiacetal
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Physical Properties
State:Liquid
Charge:-2
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility31.4 g/LALOGPS
logP-2.1ALOGPS
logP-3.1ChemAxon
logS-0.92ALOGPS
pKa (Strongest Acidic)1.22ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity46.8 m³·mol⁻¹ChemAxon
Polarizability20.53 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
SMPDB Pathways:Not Available
KEGG Pathways:
  • Fructose and mannose metabolism ec00051
  • Microbial metabolism in diverse environments ec01120
EcoCyc Pathways:
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0490000000-1a5b3049c27a2a9b8996View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03dm-4940000000-cbc695bef22278b36879View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0uka-8900000000-320e52be29673422365eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a6r-6290000000-e76ad7d6142e19f5a9c2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-e27be76de6d71ada7083View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-9540d84c7e74555e7a01View in MoNA
MSMass Spectrum (Electron Ionization)Not AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
References
References:
  • Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID17942
HMDB IDHMDB01401
Pubchem Compound ID208
Kegg IDC02962
ChemSpider ID9826554
Wikipedia IDNot Available
BioCyc IDD-ALLOSE-6-PHOSPHATE
EcoCyc IDD-ALLOSE-6-PHOSPHATE

Enzymes

General function:
Transcription
Specific function:
Catalyzes the phosphorylation of D-allose to D-allose 6- P. Has also low level glucokinase activity in vitro
Gene Name:
alsK
Uniprot ID:
P32718
Molecular weight:
33821
Reactions
ATP + D-allose = ADP + D-allose 6-phosphate.
General function:
Involved in carbohydrate metabolic process
Specific function:
In addition to its activity on D-ribose 5-phosphate it probably also has activity on D-allose 6-phosphate
Gene Name:
rpiB
Uniprot ID:
P37351
Molecular weight:
16073
Reactions
D-ribose 5-phosphate = D-ribulose 5-phosphate.
D-allose 6-phosphate = D-allulose 6-phosphate.