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aldehydo-D-allose 6-phosphate (M2MDB006326)

Record Information
Version2.0
Creation Date2015-09-08 17:50:05 -0600
Update Date2015-09-14 16:46:34 -0600
Secondary Accession Numbers
  • ECMDB24209
Identification
Name:aldehydo-D-allose 6-phosphate
DescriptionAldehydo-D-allose 6-phosphate is an intermediate in D-allose degradation pathway in E.coli. It is a substrate for the enzymes allose-6-phosphate isomerase / ribose-5-phosphate isomerase B which catalyze the reaction aldehydo-D-allose 6-phosphate -> D-allulose 6-phosphate. It is also a product for enzyme D-allose kinase which catalyzes reaction D-allopyranose + ATP -> aldehydo-D-allose 6-phosphate + ADP + H+ (BioCyc compound: D-ALLOSE-6-PHOSPHATE).
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • aldehydo-D-Allose 6-phosphoric acid
Chemical Formula:C6H11O9P
Weight:Average: 258.12
Monoisotopic: 258.015166092
InChI Key:VFRROHXSMXFLSN-UHFFFAOYSA-L
InChI:InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/p-2
CAS number:Not Available
IUPAC Name:2,3,4,5-tetrahydroxy-6-(phosphonatooxy)hexanal
Traditional IUPAC Name:2,3,4,5-tetrahydroxy-6-(phosphonatooxy)hexanal
SMILES:OC(COP([O-])([O-])=O)C(O)C(O)C(O)C=O
Chemical Taxonomy
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
  • Beta-hydroxy aldehyde
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Alpha-hydroxyaldehyde
  • 1,2-diol
  • Secondary alcohol
  • Polyol
  • Aldehyde
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic anion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
State:Not Available
Charge:-2
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility59.7 g/LALOGPS
logP-1.9ALOGPS
logP-3.7ChemAxon
logS-0.69ALOGPS
pKa (Strongest Acidic)1.49ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area170.41 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity45.98 m³·mol⁻¹ChemAxon
Polarizability20.05 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
D-allopyranose + Adenosine triphosphate > Adenosine diphosphate + Hydrogen ion + aldehydo-D-allose 6-phosphate + ADP + aldehydo-D-allose 6-phosphate
aldehydo-D-allose 6-phosphate + aldehydo-D-allose 6-phosphate > D-allulose 6-phosphate + D-Allulose-6-phosphate
SMPDB Pathways:
D-allulose degradationPW000825 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways:Not Available
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0190000000-6a33c29a56544fbd8fc6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9680000000-49a6c4b7606137edcd93View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01vn-9400000000-7245b6c8fa7d04c02067View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-9570000000-63754db13acc8c231bd3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4r-9210000000-d55b81fac47ac0517631View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-9000000000-863cb531f28b110101d2View in MoNA
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI IDNot Available
HMDB IDNot Available
Pubchem Compound ID21881160
Kegg IDNot Available
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

Protein Details
1. D-allose kinase
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.
Protein Details
2. Ribose-5-phosphate isomerase B
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.