Galactitol 1-phosphate (PAMDB000996)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB000996
Identification
Name: Galactitol 1-phosphate
Description:Galactitol 1-phosphate is a member of the chemical class known as Hexoses. These are monosaccharides in which the sugar unit is a hexose.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 1-O-Phosphono-D-galactitol
  • D-Galactitol 1-(dihydrogen phosphate)
  • D-Galactitol 1-(dihydrogen phosphoric acid)
  • D-Galactitol 1-phosphate
  • D-Galactitol 1-phosphoric acid
  • Galactitol 1-phosphoric acid
  • Galactitol-1-phosphate
  • Galactitol-1-phosphoric acid
  • Galactitol1P
  • L-Galactitol 6-phosphate
  • L-Galactitol 6-phosphoric acid
Chemical Formula: C6H15O9P
Average Molecular Weight: 262.1517
Monoisotopic Molecular Weight: 262.04536859
InChI Key: GACTWZZMVMUKNG-DPYQTVNSSA-N
InChI:InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6-/m1/s1
CAS number: 15664-55-8
IUPAC Name:{[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]oxy}phosphonic acid
Traditional IUPAC Name: galactitol 1-phosphate
SMILES:[H][C@@](O)(CO)[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)COP(O)(O)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
Kingdom Organic compounds
Super ClassOrganophosphorus compounds
Class Organic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct Parent Monoalkyl phosphates
Alternative Parents
Substituents
  • Monoalkyl phosphate
  • Organic phosphate
  • Secondary alcohol
  • Polyol
  • 1,2-diol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility26.6 mg/mLALOGPS
logP-2.3ALOGPS
logP-3.9ChemAxon
logS-0.99ALOGPS
pKa (Strongest Acidic)1.49ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area167.91 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity49.28 m3·mol-1ChemAxon
Polarizability21.61 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
Phosphoenolpyruvic acid + Galactitol > Galactitol 1-phosphate + Pyruvic acid
Galactitol 1-phosphate + NAD <> Hydrogen ion + NADH + D-Tagatose 6-phosphate
Galactitol + Protein N(pi)-phospho-L-histidine <> Galactitol 1-phosphate + Protein histidine
Galactitol 1-phosphate + NAD > L-Tagatose-6-phosphate + NADH
NAD + Galactitol 1-phosphate <> L-Tagatose-6-phosphate + NADH + Hydrogen ion
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03dj-3690000000-bcc5097fd962872341bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03kc-9610000000-75815ef73f30d5f5993dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03kd-9200000000-b0a25889ecc8989b459dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-099d-9820000000-e4b84458a13c02acc019View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9200000000-7c23a52e0da63d89cc95View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-4fcdea09d72ad56f11b7View in MoNA
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
  • van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI ID28663
HMDB IDNot Available
Pubchem Compound ID440969
Kegg IDC06311
ChemSpider ID389796
Wikipedia IDNot Available
BioCyc IDGALACTITOL-1-PHOSPHATE
EcoCyc IDGALACTITOL-1-PHOSPHATE

Enzymes

Protein Details
• Galactitol-specific phosphotransferase enzyme IIB component
General function:
Involved in sugar:hydrogen symporter activity
Specific function:
The phosphoenolpyruvate-dependent sugar phosphotransferase system (PTS), a major carbohydrate active -transport system, catalyzes the phosphorylation of incoming sugar substrates concomitant with their translocation across the cell membrane. This system is involved in galactitol transport
Gene Name:
gatB
Locus Tag:
PA4484
Molecular weight:
53.1 kDa
Reactions
Protein EIIB N(pi)-phospho-L-histidine/cysteine + sugar = protein EIIB + sugar phosphate.
Protein Details
• Galactitol-specific phosphotransferase enzyme IIA component
General function:
Involved in transporter activity
Specific function:
The phosphoenolpyruvate-dependent sugar phosphotransferase system (sugar PTS), a major carbohydrate active -transport system, catalyzes the phosphorylation of incoming sugar substrates concomitantly with their translocation across the cell membrane. This system is involved in galactitol transport
Gene Name:
gatA
Locus Tag:
PA4483
Molecular weight:
51.9 kDa
Reactions
Protein EIIA N(pi)-phospho-L-histidine + protein EIIB = protein EIIA + protein EIIB N(pi)-phospho-L-histidine/cysteine.
Protein Details
• Galactitol permease IIC component
General function:
Involved in phosphoenolpyruvate-dependent sugar phosphotransferase system
Specific function:
The phosphoenolpyruvate-dependent sugar phosphotransferase system (PTS), a major carbohydrate active -transport system, catalyzes the phosphorylation of incoming sugar substrates concomitant with their translocation across the cell membrane. This system is involved in galactitol transport
Gene Name:
gatC
Locus Tag:
PA4482
Molecular weight:
10.5 kDa

Transporters

Protein Details
• Galactitol permease IIC component
General function:
Involved in phosphoenolpyruvate-dependent sugar phosphotransferase system
Specific function:
The phosphoenolpyruvate-dependent sugar phosphotransferase system (PTS), a major carbohydrate active -transport system, catalyzes the phosphorylation of incoming sugar substrates concomitant with their translocation across the cell membrane. This system is involved in galactitol transport
Gene Name:
gatC
Locus Tag:
PA4482
Molecular weight:
10.5 kDa