Record Information
Version1.0
Creation date2011-09-21 01:38:47 UTC
Update date2015-07-21 06:59:24 UTC
Primary IDFDB028375
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameRibose 1,5-bisphosphate
DescriptionRibose 1,5-bisphosphate (Rib-1,5-P2), a newly discovered activator of phosphofructokinase. It forms rapidly during the initiation of glycolytic flux and disappears within 20 s/ Ribose 1,5-bisphosphate is a potent regulator of the fructose 6-phosphate/fructose 1,6-bisphosphate cycle in the liver. Ribose 1,5-bisphosphate is a substrate for Ribose 1,5-bisphosphate phosphokinase (EC 2.7.4.23), an enzyme that catalyzes the chemical reaction ATP + ribose 1,5-bisphosphate <-> ADP + 5-phospho-alpha-D-ribose 1-diphosphate [HMDB]
CAS Number14689-84-0
Structure
Thumb
Synonyms
SynonymSource
alpha-D-Ribose 1,5-diphosphateChEBI
alpha-D-Ribose 1,5-bisphosphateKegg
a-D-Ribose 1,5-diphosphateGenerator
a-D-Ribose 1,5-diphosphoric acidGenerator
alpha-D-Ribose 1,5-diphosphoric acidGenerator
Α-D-ribose 1,5-diphosphateGenerator
Α-D-ribose 1,5-diphosphoric acidGenerator
a-D-Ribose 1,5-bisphosphateGenerator
a-D-Ribose 1,5-bisphosphoric acidGenerator
alpha-D-Ribose 1,5-bisphosphoric acidGenerator
Α-D-ribose 1,5-bisphosphateGenerator
Α-D-ribose 1,5-bisphosphoric acidGenerator
Ribose 1,5-bisphosphoric acidGenerator
D-Ribose 1,5-diphosphateHMDB
Rib-1,5-P2HMDB
a-D-Ribose 1,5-diateGenerator
a-D-Ribose 1,5-diic acidGenerator
alpha-D-Ribose 1,5-diateChEBI
alpha-D-Ribose 1,5-diic acidGenerator
D-Ribose 1,5-diateHMDB
Ribose 1,5-bisateChEBI
Ribose 1,5-bisic acidGenerator
α-D-ribose 1,5-diateGenerator
α-D-ribose 1,5-diic acidGenerator
Predicted Properties
PropertyValueSource
Water Solubility15.6 g/LALOGPS
logP-1.4ALOGPS
logP-2.5ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)0.89ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area183.21 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity51.71 m³·mol⁻¹ChemAxon
Polarizability22.78 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC5H12O11P2
IUPAC name{[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy}phosphonic acid
InChI IdentifierInChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
InChI KeyAAAFZMYJJHWUPN-TXICZTDVSA-N
Isomeric SMILESO[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]1COP(O)(O)=O
Average Molecular Weight310.0897
Monoisotopic Molecular Weight309.98548425
Classification
Description Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Pentose-5-phosphate
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Phosphoric acid ester
  • Tetrahydrofuran
  • 1,2-diol
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Source:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
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-MSRibose 1,5-bisphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0002-9220000000-1f3f7b88b2533c821f09Spectrum
Predicted GC-MSRibose 1,5-bisphosphate, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0gk9-5961100000-7dad9badee988041b0b3Spectrum
Predicted GC-MSRibose 1,5-bisphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSRibose 1,5-bisphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9031000000-9ab528e46e1d66c4ad5cSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9140000000-e56de52e1d17f4286991Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9200000000-f31e4ea5f4dea26394f8Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a6r-9018000000-cb48112104543e57b955Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-01974a0116774007bec1Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-66ebbf7bf34456c4b1c4Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0009000000-fb37007c75b47c9fa5c9Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-a5e502a2627af2048a1fSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-002b-9000000000-76ac5cacd6931823795aSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-1497000000-3b1c1ff96d6402c978d4Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01ow-5921000000-6f619c34507855803d10Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9200000000-0d61721cadf3a2610781Spectrum
NMRNot Available
ChemSpider ID26328792
ChEMBL IDNot Available
KEGG Compound IDC01151
Pubchem Compound ID14035695
Pubchem Substance IDNot Available
ChEBI ID17994
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB11688
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDRI2
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