Record Information
Version1.0
Creation date2010-04-08 22:06:10 UTC
Update date2019-11-26 02:59:54 UTC
Primary IDFDB004270
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameD-Ribulose
DescriptionRibulose is a ketopentose - a monosaccharide containing five carbon atoms, and including a ketone functional group. D-ribulose is an intermediate in the fungal pathway for D-arabitol production. As the 1,5-bisphosphate, it combines with CO2 at the start of the photosynthetic process in green plants (carbon dioxide trap); d-ribulose is the epimer of d-xylulose. D-Ribulose is found in red beetroot.
CAS Number488-84-6
Structure
Thumb
Synonyms
SynonymSource
RibuloseMeSH
Ribulose, (erythro-D)-isomerMeSH
DL-erythro-PentuloseMeSH
Ribulose, (erythro-L)-isomerMeSH
D-adonosebiospider
D-arabinoketosebiospider
D-arabinulosebiospider
D-araboketosebiospider
D-erythro-2-Keptopentosebiospider
d-erythro-2-pentulosebiospider
D-erythro-Pent-2-uloseChEBI
D-erythro-pentulosebiospider
D-erythropentulosebiospider
D-riboketosebiospider
D-ribosonebiospider
D-Ribulosebiospider
D-RulChEBI
D(-)-ribulosebiospider
Predicted Properties
PropertyValueSource
Water Solubility678 g/LALOGPS
logP-2.2ALOGPS
logP-2.6ChemAxon
logS0.65ALOGPS
pKa (Strongest Acidic)10.57ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area97.99 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity31.6 m³·mol⁻¹ChemAxon
Polarizability13.5 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC5H10O5
IUPAC name1,3,4,5-tetrahydroxypentan-2-one
InChI IdentifierInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2
InChI KeyZAQJHHRNXZUBTE-UHFFFAOYSA-N
Isomeric SMILESOCC(O)C(O)C(=O)CO
Average Molecular Weight150.1299
Monoisotopic Molecular Weight150.05282343
Classification
Description Belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentoses
Alternative Parents
Substituents
  • Pentose monosaccharide
  • Beta-hydroxy ketone
  • Acyloin
  • Alpha-hydroxy ketone
  • Secondary alcohol
  • Ketone
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
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
Charge0
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSD-Ribulose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-03di-9000000000-5e0dfc74544a16cb6a2bSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-2900000000-3e1ebc07944b3d190ec8Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9300000000-9be7fcf2c9ec6f8829c7Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-08fv-9000000000-931753afec5aa068bca8Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000j-9400000000-1c39b6f316e1745d355cSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-06ri-9100000000-095c1d8c10895109ecb1Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4l-9000000000-5ea417513158cb617f30Spectrum
NMRNot Available
ChemSpider ID133316
ChEMBL IDCHEMBL195989
KEGG Compound IDC00309
Pubchem Compound ID151261
Pubchem Substance IDNot Available
ChEBI ID17173
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00621
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDD-RIBULOSE
BIGG ID34569
KNApSAcK IDC00001131
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDD-Ribulose
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— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).