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Record Information
Version3.6
Creation Date2013-05-17 00:59:16 UTC
Update Date2016-02-11 08:04:56 UTC
HMDB IDHMDB60393
Secondary Accession NumbersNone
Metabolite Identification
Common Name5-Deoxyribose-1-phosphate
DescriptionThis compound belongs to the family of Pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms
Structure
Thumb
Synonyms
ValueSource
5-Deoxy-1-O-phosphono-alpha-D-ribofuranoseChEBI
5-Deoxy-alpha-D-ribose-1-phosphateChEBI
5-Deoxy-1-O-phosphono-a-D-ribofuranoseGenerator
5-Deoxy-1-O-phosphono-α-D-ribofuranoseGenerator
5-Deoxyribose-1-phosphoric acidGenerator
5-Deoxy-a-D-ribose-1-phosphateGenerator
5-Deoxy-a-D-ribose-1-phosphoric acidGenerator
5-Deoxy-alpha-D-ribose-1-phosphoric acidGenerator
5-Deoxy-α-D-ribose-1-phosphateGenerator
5-Deoxy-α-D-ribose-1-phosphoric acidGenerator
Chemical FormulaC5H11O7P
Average Molecular Weight214.1104
Monoisotopic Molecular Weight214.024239218
IUPAC Name{[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]oxy}phosphonic acid
Traditional Name5-deoxyribose-1-phosphate
CAS Registry NumberNot Available
SMILES
C[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O
InChI Identifier
InChI=1/C5H11O7P/c1-2-3(6)4(7)5(11-2)12-13(8,9)10/h2-7H,1H3,(H2,8,9,10)/t2-,3-,4-,5-/s2
InChI KeyInChIKey=XXQFKXPJJNBLSU-VVLSSCEONA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
KingdomOrganic compounds
Super ClassOrganophosphorus compounds
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentMonoalkyl phosphates
Alternative Parents
Substituents
  • Monoalkyl phosphate
  • Organic phosphate
  • Monosaccharide
  • Saccharide
  • Oxolane
  • Secondary alcohol
  • 1,2-diol
  • Oxacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility37.6 mg/mLALOGPS
logP-1.5ALOGPS
logP-1.4ChemAxon
logS-0.76ALOGPS
pKa (Strongest Acidic)1.16ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area116.45 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity39.29 m3·mol-1ChemAxon
Polarizability17.12 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationNot Available
PathwaysNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID21865552
KEGG Compound IDC16637
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
NuGOwiki LinkHMDB60393
Metagene LinkHMDB60393
METLIN IDNot Available
PubChem Compound24906327
PDB IDNot Available
ChEBI ID48462
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Magrane M, Consortium U: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [21447597 ]

Enzymes

General function:
Involved in transferase activity, transferring glycosyl groups
Specific function:
May have a role in maintaining the integrity of the blood vessels. Has growth promoting activity on endothelial cells, angiogenic activity in vivo and chemotactic activity on endothelial cells in vitro. Catalyzes the reversible phosphorolysis of thymidine. The produced molecules are then utilized as carbon and energy sources or in the rescue of pyrimidine bases for nucleotide synthesis.
Gene Name:
TYMP
Uniprot ID:
P19971
Molecular weight:
49954.965
Reactions
5'-Deoxy-5-fluorouridine + Phosphoric acid → Fluorouracil + 5-Deoxyribose-1-phosphatedetails