Record Information
Version1.0
Creation date2011-09-21 00:12:28 UTC
Update date2015-07-21 06:57:10 UTC
Primary IDFDB022341
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name5-Methylthioribose 1-phosphate
Description5-Methylthioribose 1-phosphate is an intermediate in methionine biosynthesis. It is converted from 5'-Deoxy-5'-methylthioadenosine by 5'-Deoxy-5'-methylthioadenosine phosphorylase. Then it is converted to methionine (PMID 2153115). In the methionine salvage pathway 5-methylthioribose 1-phosphate isomerase (M1Pi) catalyzes the conversion of 5-methylthioribose 1-phosphate (MTR-1-P) to 5-methylthioribulose 1-phosphate (MTRu-1-P) [HMDB]
CAS Number72843-83-5
Structure
Thumb
Synonyms
SynonymSource
5-Methylthioribose 1-phosphoric acidGenerator
1-Phospho-5-S-methylthioriboseHMDB
1-PhosphomethylthioriboseHMDB
5-Methylthio-5-deoxy-D-ribose 1-phosphateHMDB
5-Methylthio-5-deoxy-D-ribose-1-phosphateHMDB
5-Methylthio-D-ribose-1-phosphateHMDB
5-Methylthioribose-1-phosphateHMDB
D-RibofuranosideHMDB
S-Methyl-5-thio-alpha-D-ribose 1-phosphateHMDB
S5-Methyl-5-thio-D-ribose-1-phosphateHMDB
1-O-5-S-MethylthioriboseHMDB
1-OmethylthioriboseHMDB
1-phospho-5-S-methylthioribosehmdb
1-phosphomethylthioribosehmdb
5-methylthio-5-Deoxy-D-ribose 1-ateHMDB
5-methylthio-5-Deoxy-D-ribose-1-ateHMDB
5-methylthio-5-deoxy-D-ribose-1-phosphatehmdb
5-methylthio-D-Ribose-1-ateHMDB
5-methylthio-D-ribose-1-phosphatehmdb
5-Methylthioribose 1-ateHMDB
5-Methylthioribose 1-phosphatehmdb
5-Methylthioribose 1-phosphic acidhmdb
5-Methylthioribose-1-ateHMDB
5-methylthioribose-1-phosphatehmdb
D-ribofuranosidehmdb
S-Methyl-5-thio-alpha-D-ribose 1-ateHMDB
S-methyl-5-thio-alpha-D-ribose 1-phosphatehmdb
S5-Methyl-5-thio-D-ribose-1-ateHMDB
S5-methyl-5-thio-D-ribose-1-phosphatehmdb
Predicted Properties
PropertyValueSource
Water Solubility28.7 g/LALOGPS
logP-1.2ALOGPS
logP-0.94ChemAxon
logS-0.96ALOGPS
pKa (Strongest Acidic)1.16ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area116.45 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity51.67 m³·mol⁻¹ChemAxon
Polarizability22.53 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC6H13O7PS
IUPAC name{[(3R,4S)-3,4-dihydroxy-5-[(methylsulfanyl)methyl]oxolan-2-yl]oxy}phosphonic acid
InChI IdentifierInChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3?,4-,5-,6?/m1/s1
InChI KeyJTFITTQBRJDSTL-WATOWXBHSA-N
Isomeric SMILESCSCC1OC(OP(O)(O)=O)[C@H](O)[C@@H]1O
Average Molecular Weight260.202
Monoisotopic Molecular Weight260.011959972
Classification
Description belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentoses
Alternative Parents
Substituents
  • Pentose monosaccharide
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Tetrahydrofuran
  • 1,2-diol
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Dialkylthioether
  • Sulfenyl compound
  • Thioether
  • Organic oxide
  • Alcohol
  • Hydrocarbon derivative
  • Organosulfur compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC04188
Pubchem Compound ID53477720
Pubchem Substance IDNot Available
ChEBI ID27859
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00963
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID43318
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
NameGene NameUniProt ID
S-methyl-5'-thioadenosine phosphorylaseMTAPQ13126
Pathways
NameSMPDB LinkKEGG Link
Methionine MetabolismSMP00033 map00270
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference