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Record Information
Version4.0
Creation Date2013-05-17 00:59:16 UTC
Update Date2017-10-23 19:15:41 UTC
HMDB IDHMDB0060393
Secondary Accession Numbers
  • HMDB60393
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-Deoxyribose-1-phosphateChEBI
5-Deoxy-1-O-phosphono-a-D-ribofuranoseGenerator
5-Deoxy-1-O-phosphono-α-D-ribofuranoseGenerator
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
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
5-Deoxyribose-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=1S/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-/m1/s1
InChI KeyXXQFKXPJJNBLSU-TXICZTDVSA-N
Chemical Taxonomy
DescriptionThis compound 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
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Tetrahydrofuran
  • Secondary alcohol
  • 1,2-diol
  • Oxacycle
  • Organoheterocyclic compound
  • Organic oxide
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Process

Naturally occurring process:

  Biological process:

    Biochemical pathway:

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 g/LALOGPS
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 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity39.29 m³·mol⁻¹ChemAxon
Polarizability17.12 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9000000000-c8a69fbbc409678cae69View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positivesplash10-0002-9120000000-879348d5449e2ca213ccView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9220000000-5f09dbaee2c5978505dcView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9310000000-114397a9155dbe99d55bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9100000000-c4d81d3c665e3a91af96View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03fs-9180000000-dc874a1db4b973ead384View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-801ecd7338d22d460f12View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-28a7bebfe7a8aa82e689View in MoNA
Biological Properties
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationNot Available
Pathways
NameSMPDB/PathwhizKEGG
Capecitabine Metabolism PathwayPw000583Pw000583 greyscalePw000583 simpleNot Available
Capecitabine PathwayPw000256Pw000256 greyscalePw000256 simpleNot Available
Displaying all 2 entries
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
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: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed: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