Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110594
Identification
Name: β-D-glucose 1-phosphate
Description:An organophosphate oxoanion that is the dianion of β-D-glucose 1-phosphate arising from deprotonation of both phosphate OH groups.
Structure
Thumb
Synonyms:
  • β-D-glucopyranose 1-phosphate
Chemical Formula: C6H11O9P
Average Molecular Weight: 260.0297185262
Monoisotopic Molecular Weight: 260.0297185262
InChI Key: HXXFSFRBOHSIMQ-DVKNGEFBSA-L
InChI: InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-,6+/m1/s1
CAS number: Not Available
IUPAC Name:β-D-glucopyranose 1-phosphate
Traditional IUPAC Name: Not Available
SMILES:C(O)C1(OC(C(C(C1O)O)O)OP([O-])([O-])=O)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Monosaccharide phosphates
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Monosaccharide phosphate
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Alkyl phosphate
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Primary alcohol
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • an \u0026alpha;-hexose-1-phosphate (MANNOSE-1P)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight258.119 g/molPubChem
XLogP3-4 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count9 PubChem
Rotatable Bond Count2 PubChem
Exact Mass258.014 g/molPubChem
Monoisotopic Mass258.014 g/molPubChem
Topological Polar Surface Area163 A^2PubChem
Heavy Atom Count16 PubChem
Formal Charge-2 PubChem
Complexity266 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count5 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:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    ChEBI57684
    KEGGC00663
    PubChem25244208