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6-Deoxy-6-sulfo-D-fructose 1-phosphate (M2MDB006008)

Record Information
Version2.0
Creation Date2015-06-30 15:22:53 -0600
Update Date2015-08-05 16:22:05 -0600
Secondary Accession Numbers
  • ECMDB23906
Identification
Name:6-Deoxy-6-sulfo-D-fructose 1-phosphate
DescriptionA carbohydrate sulfonate that is D-fructofuranose-1-phosphate in which the hydroxy group at at position 6 is replaced by a sulfo group
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms:
  • 6-Deoxy-6-sulfO-D-fructofuranose 1-phosphate
  • 6-Deoxy-6-sulfO-D-fructofuranose 1-phosphoric acid
  • 6-Deoxy-6-sulfO-D-fructose 1-phosphate
  • 6-Deoxy-6-sulfO-D-fructose 1-phosphoric acid
  • 6-Deoxy-6-sulfofructose 1-phosphate
  • 6-Deoxy-6-sulfofructose 1-phosphoric acid
  • 6-Deoxy-6-sulphO-D-fructofuranose 1-phosphate
  • 6-Deoxy-6-sulphO-D-fructofuranose 1-phosphoric acid
  • 6-Deoxy-6-sulphO-D-fructose 1-phosphate
  • 6-Deoxy-6-sulphO-D-fructose 1-phosphoric acid
  • 6-Deoxy-6-sulphofructose 1-phosphate
  • 6-Deoxy-6-sulphofructose 1-phosphoric acid
Chemical Formula:C6H13O11PS
Weight:Average: 324.19
Monoisotopic: 323.991619411
InChI Key:IZVMCURFIBVEOJ-VRPWFDPXSA-N
InChI:InChI=1S/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6?/m1/s1
CAS number:Not Available
IUPAC Name:[(2S,3S,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methanesulfonic acid
Traditional IUPAC Name:[(2S,3S,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methanesulfonic acid
SMILES:O[C@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1CS(O)(=O)=O
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Pentose-5-phosphate
  • C-glycosyl compound
  • Glycosyl compound
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Sugar acid
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Phosphoric acid ester
  • Alkanesulfonic acid
  • Tetrahydrofuran
  • Sulfonyl
  • Organosulfonic acid
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • 1,2-diol
  • Secondary alcohol
  • Hemiacetal
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Alcohol
  • Organosulfur compound
  • Organic oxide
  • Hydrocarbon derivative
  • 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 Solubility34.1 g/LALOGPS
logP-1.9ALOGPS
logP-3.2ChemAxon
logS-0.98ALOGPS
pKa (Strongest Acidic)-1.2ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area191.05 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity55.63 m³·mol⁻¹ChemAxon
Polarizability24.83 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
6-Deoxy-6-sulfo-D-fructose 1-phosphate <> Dihydroxyacetone phosphate + 2-Hydroxy-3-oxopropane-1-sulfonate
SMPDB Pathways:Not Available
KEGG Pathways:Not Available
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TMS_4_11) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-05fs-4449000000-accaca73aff412789eb9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-052e-7193000000-2c457d723ac5e656bcfbView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000t-9800000000-2b60dfc241ea88e073fbView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9102000000-732e54d410be65aff006View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0059-9000000000-a01fe5c7e48029a37d6fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-26e51374d658d62a1112View in MoNA
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID77263
HMDB IDNot Available
Pubchem Compound ID86289122
Kegg IDC20831
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

Protein Details
1. Sulfofructosephosphate aldolase
General function:
organic cyclic compound catabolic process
Specific function:
Cleaves 6-deoxy-6-sulfo-D-fructose 1-phosphate (SFP) to form dihydroxyacetone phosphate (DHAP) and 3-sulfolactaldehyde (SLA).
Gene Name:
yihT
Uniprot ID:
P32141
Molecular weight:
31982
Reactions
6-deoxy-6-sulfo-D-fructose 1-phosphate = glycerone phosphate + 2-hydroxy-3-oxopropane-1-sulfonate