Structural search and advanced query search is temporarily unavailable. We are working to fix this issue. Thank you for your support and patience.


2-(alpha-D-Mannosyl)-3-phosphoglycerate (M2MDB000882)

Record Information
Version2.0
Creation Date2012-05-31 14:23:56 -0600
Update Date2015-06-03 17:19:10 -0600
Secondary Accession Numbers
  • ECMDB20033
Identification
Name:2-(alpha-D-Mannosyl)-3-phosphoglycerate
Description2-(alpha-D-mannosyl)-3-phosphoglycerate is a member of the chemical class known as Hexoses. These are monosaccharides in which the sugar unit is a hexose.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • 2-(α-D-mannosyl)-3-phosphoglycerate
  • 2-(α-D-mannosyl)-3-phosphoglyceric acid
  • 2-(a-D-Mannosyl)-3-phosphoglycerate
  • 2-(a-D-Mannosyl)-3-phosphoglyceric acid
  • 2-(alpha-D-Mannosyl)-3-phosphoglycerate
  • 2-(alpha-D-Mannosyl)-3-phosphoglyceric acid
  • 2-(α-D-Mannosyl)-3-phosphoglycerate
  • 2-(α-D-Mannosyl)-3-phosphoglyceric acid
Chemical Formula:C9H17O12P
Weight:Average: 348.1978
Monoisotopic: 348.04576252
InChI Key:RJDBNSZFZDWPFL-WEDYNZIRSA-N
InChI:InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4?,5-,6+,7+,9-/m1/s1
CAS number:Not Available
IUPAC Name:3-(phosphonooxy)-2-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoic acid
Traditional IUPAC Name:3-(phosphonooxy)-2-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoic acid
SMILES:[H]C(COP(O)(O)=O)(O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O)C(O)=O
Chemical Taxonomy
Description belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acyl glycosides
Direct ParentFatty acyl glycosides of mono- and disaccharides
Alternative Parents
Substituents
  • Fatty acyl glycoside of mono- or disaccharide
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Glyceric_acid
  • Monoalkyl phosphate
  • Sugar acid
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Alkyl phosphate
  • Secondary alcohol
  • Oxacycle
  • Acetal
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Polyol
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Carbonyl group
  • Organooxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Primary alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
State:Not Available
Charge:-3
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility27.5 g/LALOGPS
logP-2.4ALOGPS
logP-3.4ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)1.04ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area203.44 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity63.67 m³·mol⁻¹ChemAxon
Polarizability28.52 ųChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
2-(alpha-D-Mannosyl)-3-phosphoglycerate + Water + 2(alpha-D-mannosyl)-3-phosphoglycerate <> 2(alpha-D-Mannosyl)-D-glycerate + Phosphate
2-(alpha-D-Mannosyl)-3-phosphoglycerate + Water > 2(alpha-D-Mannosyl)-D-glycerate + Phosphate
SMPDB Pathways:
Collection of Reactions without pathwaysPW001891 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways:
  • Fructose and mannose metabolism ec00051
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TMS_4_14) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-015j-1915000000-700ff63c12ba4fa1f893View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014r-3900000000-b7cdc52a29ea3ab12101View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9700000000-314c17a4b111fdd7d9deView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004j-7916000000-c74c3c2b83db5102d64aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9200000000-02cb99a119301b7d5a45View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-2736a002f609fba8f84aView in MoNA
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
References
References:
  • Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
  • Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID16351
HMDB IDNot Available
Pubchem Compound ID443242
Kegg IDC11516
ChemSpider ID391505
Wikipedia IDNot Available
BioCyc IDALPHA-D-MANNOSYL-3-PHOSPHOGLYCERATE
EcoCyc IDALPHA-D-MANNOSYL-3-PHOSPHOGLYCERATE

Enzymes

Protein Details
1. Putative mannosyl-3-phosphoglycerate phosphatase
General function:
Involved in catalytic activity
Specific function:
2(alpha-D-mannosyl)-3-phosphoglycerate + H(2)O = 2(alpha-D-mannosyl)-D-glycerate + phosphate
Gene Name:
yedP
Uniprot ID:
P76329
Molecular weight:
30439
Reactions
2(alpha-D-mannosyl)-3-phosphoglycerate + H(2)O = 2(alpha-D-mannosyl)-D-glycerate + phosphate.