5-phospho-α-D-ribose 1,2-cyclic phosphate (PAMDB120386)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120386
Identification
Name: 5-phospho-α-D-ribose 1,2-cyclic phosphate
Description:An organophosphate oxoanion obtained by deprotonation of the phsophate OH groups of α-D-ribose 1,2-cyclic phosphate 5-phosphate; major species at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 5-phosphonato-α-D-ribose cyclic-1,2-phosphate
  • α-D-ribose 1,2-cyclic phosphate 5-phosphate
  • α-D-ribose 1,2-cyclic phosphate 5-phosphate(3−)
  • PRcP
Chemical Formula: C5H7O10P2
Average Molecular Weight: 289.052
Monoisotopic Molecular Weight: 291.9749
InChI Key: OXGUIUWFXGIWNM-TXICZTDVSA-K
InChI:InChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/p-3/t2-,3-,4-,5-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(C1(OC2(C(C1O)OP(O2)([O-])=O)))OP([O-])([O-])=O
Chemical Taxonomy
Taxonomy DescriptionThis compound 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.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Pentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Pentose-5-phosphate
  • Monosaccharide phosphate
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Phosphoric acid ester
  • 1,3_dioxaphospholane
  • Tetrahydrofuran
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Organic anion
  • Aliphatic heteropolycyclic compound
Molecular Framework Aliphatic heteropolycyclic compounds
External Descriptors
  • a small molecule (CPD0-2463)
Physical Properties
State: Not Available
Charge:-3
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight289.049 g/molPubChem
XLogP3-AA-4 PubChem
Hydrogen Bond Donor Count1 PubChem
Hydrogen Bond Acceptor Count10 PubChem
Rotatable Bond Count2 PubChem
Exact Mass288.951 g/molPubChem
Monoisotopic Mass288.951 g/molPubChem
Topological Polar Surface Area161 A^2PubChem
Heavy Atom Count17 PubChem
Formal Charge-3 PubChem
Complexity370 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count4 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
α-D-ribose-1-methylphosphonate 5-phosphate → 5-phospho-α-D-ribose 1,2-cyclic phosphate + Methane
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    • Kamat SS, Williams HJ, Raushel FM (2011)Intermediates in the transformation of phosphonates to phosphate by bacteria. Nature 480, Pubmed: 22089136
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI68687
    PUBCHEM54758576