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Human Metabolome Database Version 3.5

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Showing metabocard for L-Ribulose (HMDB03371)

Record Information
Version 3.5
Creation Date 2006-08-12 13:46:10 -0600
Update Date 2013-02-08 17:12:29 -0700
HMDB ID HMDB03371
Secondary Accession Numbers None
Metabolite Identification
Common Name L-Ribulose
Description Ribulose is a ketopentose- a monosaccharide containing five carbon atoms, and including a ketone functional group. It has chemical formula C5H10O5. Two diastereomers are possible, D-ribulose (D-erythro-pentulose) and L-ribulose (L-erythro-pentulose). D-ribulose is an intermediate in the fungal pathway for D-arabitol production.
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. Ribulose
Chemical Formula C5H10O5
Average Molecular Weight 150.1299
Monoisotopic Molecular Weight 150.05282343
IUPAC Name (3S,4R)-2-(hydroxymethyl)oxolane-2,3,4-triol
Traditional IUPAC Name (3S,4R)-2-(hydroxymethyl)oxolane-2,3,4-triol
CAS Registry Number 2042-27-5
SMILES OCC1(O)OC[C@@H](O)[C@@H]1O
InChI Identifier InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m1/s1
InChI Key LQXVFWRQNMEDEE-OVEKKEMJSA-N
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Carbohydrates and Carbohydrate Conjugates
Class Monosaccharides
Sub Class Pentoses
Other Descriptors
  • Aliphatic Heteromonocyclic Compounds
  • Ketoses(KEGG)
Substituents
  • 1,2 Diol
  • Hemiacetal
  • Oxolane
  • Primary Alcohol
  • Secondary Alcohol
Direct Parent Pentoses
Ontology
Status Expected and Not Quantified
Origin
  • Endogenous
Biofunction Not Available
Application Not Available
Cellular locations
  • Cytoplasm (predicted from logP)
Physical Properties
State Solid
Experimental Properties
Property Value Reference
Melting Point Not Available Not Available
Boiling Point Not Available Not Available
Water Solubility Not Available Not Available
LogP Not Available Not Available
Predicted Properties
Property Value Source
Water Solubility 1310 g/L ALOGPS
LogP -2.20 ALOGPS
LogP -2.1 ChemAxon
LogS 0.94 ALOGPS
pKa (strongest acidic) 10.29 ChemAxon
pKa (strongest basic) -3.5 ChemAxon
Hydrogen Acceptor Count 5 ChemAxon
Hydrogen Donor Count 4 ChemAxon
Polar Surface Area 90.15 A2 ChemAxon
Rotatable Bond Count 1 ChemAxon
Refractivity 30.4 ChemAxon
Polarizability 13.46 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge 0 ChemAxon
Spectra
MS/MS Spectrum GC-MS
MS/MS Spectrum GC-MS
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biofluid Locations Not Available
Tissue Location Not Available
Pathways Not Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
DrugBank Metabolite ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB023156
KNApSAcK ID Not Available
Chemspider ID 388344 Link_out
KEGG Compound ID C00310 Link_out
BioCyc ID L-RIBULOSE-5-P Link_out
BiGG ID Not Available
Wikipedia Link L-Ribulose Link_out
NuGOwiki Link HMDB03371 Link_out
Metagene Link HMDB03371 Link_out
METLIN ID 6908 Link_out
PubChem Compound 439204 Link_out
PDB ID Not Available
ChEBI ID 16880 Link_out
References
Synthesis Reference Yasuda, Mari; Kawaguchi, Tomoko. Production method for L-ribulose from ribitol. Jpn. Kokai Tokkyo Koho (1999), 6 pp.
Material Safety Data Sheet (MSDS) Not Available
General References Not Available