α-D-ribose-1-methylphosphonate 5-phosphate (PAMDB120393)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120393
Identification
Name: α-D-ribose-1-methylphosphonate 5-phosphate
Description:An organophosphate oxoanion obtained by deprotonation of the phosphate and phosphonate OH groups of α-D-ribose 1-methylphosphonate 5-phosphate; major species at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • α-D-ribose 1-methylphosphonate 5-phosphate
  • α-D-ribose 1-methylphosphonate 5-phosphate trianion
  • PRPn
Chemical Formula: C6H11O10P2
Average Molecular Weight: 305.094
Monoisotopic Molecular Weight: 308.00623
InChI Key: RITBIFGLPRFTSB-KVTDHHQDSA-K
InChI:InChI=1S/C6H14O10P2/c1-17(9,10)16-6-5(8)4(7)3(15-6)2-14-18(11,12)13/h3-8H,2H2,1H3,(H,9,10)(H2,11,12,13)/p-3/t3-,4-,5-,6-/m1/s1
CAS number: Not Available
IUPAC Name:1-O-(methylphosphinato)-5-O-phosphonato-α-D-ribofuranose
Traditional IUPAC Name: Not Available
SMILES:CP([O-])(=O)OC1(C(C(C(O1)COP([O-])([O-])=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
  • Phosphoric acid ester
  • Phosphonic acid ester
  • Alkyl phosphate
  • Organophosphonic acid
  • Organophosphonic acid derivative
  • Tetrahydrofuran
  • 1,2-diol
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Hydrocarbon derivative
  • Organophosphorus compound
  • Organic oxide
  • Alcohol
  • Organopnictogen compound
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • a small molecule (CPD0-2480)
Physical Properties
State: Not Available
Charge:-3
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass305.0928ChemAxon
logP-0.3112ChemAxon
H-bond acceptors10ChemAxon
H-bond donors2ChemAxon
Rotatable bonds5ChemAxon
PSA191.0900ChemAxon
RO5 violations0ChemAxon
RO3 violations4ChemAxon
Refractivity50.6361ChemAxon
Atoms29ChemAxon
Rings1ChemAxon
Heavy atoms18ChemAxon
Hydrogen atoms11ChemAxon
Heteroatoms12ChemAxon
N/O atoms10ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers4ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers4ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
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
    CHEBI68686