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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:45:38 UTC
HMDB IDHMDB0001299
Secondary Accession Numbers
  • HMDB01299
Metabolite Identification
Common Name5-Methylthioribulose 1-phosphate
Description5-Methylthioribulose 1-phosphate, also known as 1PMT-ribulose or 1-phospho-5-S-methylthioribulose, belongs to the class of organic compounds known as glycerone phosphates. These are organic compounds containing a glycerone moiety that carries a phosphate group at the O-1 or O-2 position. 5-Methylthioribulose 1-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). 5-Methylthioribulose 1-phosphate is an intermediate in the methionine salvage pathway. 5-Deoxy-5-methylthioadenosine (methylthioadenosine) is a metabolite of S-adenosyl-L-methionine formed during the synthesis of the polyamines, spermidine and spermine. 5-Methylthioribulose 1-phosphate exists in all living species, ranging from bacteria to humans. Outside of the human body, 5-Methylthioribulose 1-phosphate has been detected, but not quantified in, several different foods, such as gooseberries, lemon balms, saffrons, arctic blackberries, and alliums. This could make 5-methylthioribulose 1-phosphate a potential biomarker for the consumption of these foods. The first step is the phosphorolysis of methylthioadenosine to 5-methylthioribose-1-phosphate and adenine by the enzyme 5-deoxy- 5-methylthioadenosine phosphorylase (methylthioadenosine phosphorylase); 5-methylthioribose-1-phosphate is then converted to 5-Methylthioribulose 1-phosphate (PMID: 6725268 ). It is a microbial metabolite produced by gut microbes during methionine generation from methylthioadenosine.
Structure
Data?1595010085
Synonyms
ValueSource
5-S-Methyl-1-O-phosphono-5-thio-D-ribuloseChEBI
5-(Methylsulfanyl)-D-ribulose 1-phosphateKegg
5-(Methylsulfanyl)-D-ribulose 1-phosphoric acidGenerator
5-(Methylsulphanyl)-D-ribulose 1-phosphateGenerator
5-(Methylsulphanyl)-D-ribulose 1-phosphoric acidGenerator
5-Methylthioribulose 1-phosphoric acidGenerator
1-Phospho-5-S-methylthioribuloseHMDB
1-PhosphomethylthioribuloseHMDB
1PMT-RibuloseHMDB
5-Methylthio-2-ribulose-1-phosphateHMDB
5-Methylthio-5-deoxy-D-ribulose 1-phosphateHMDB
5-Methylthio-5-deoxy-D-ribulose-1-phosphateHMDB
5-Methylthioribulose-1-phosphateHMDB
5-S-Methyl-5-thio-D-erythro-pent-2-ulose 1-(dihydrogen phosphate)HMDB
5-S-Methyl-5-thio-D-ribulose 1-(dihydrogen phosphate)HMDB
Methylthioribulose-1-phosphateHMDB
MTRu-1-pHMDB
S-Methyl-5-thio-D-ribulose 1-phosphateHMDB
1-PMT-RibuloseHMDB
Methylthioribulose 1-phosphateHMDB
5-(Methylthio)ribulose 1-phosphateHMDB
Chemical FormulaC6H13O7PS
Average Molecular Weight260.202
Monoisotopic Molecular Weight260.011959972
IUPAC Name{[(3R,4S)-3,4-dihydroxy-5-(methylsulfanyl)-2-oxopentyl]oxy}phosphonic acid
Traditional Namemethylthioribulose-1-phosphate
CAS Registry Number86316-83-8
SMILES
CSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O
InChI Identifier
InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m1/s1
InChI KeyCNSJRYUMVMWNMC-RITPCOANSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glycerone phosphates. These are organic compounds containing a glycerone moiety that carries a phosphate group at the O-1 or O-2 position.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentGlycerone phosphates
Alternative Parents
Substituents
  • Glycerone phosphate
  • Monoalkyl phosphate
  • Acyloin
  • Beta-hydroxy ketone
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Alpha-hydroxy ketone
  • Secondary alcohol
  • 1,2-diol
  • Thioether
  • Sulfenyl compound
  • Dialkylthioether
  • Organosulfur compound
  • Alcohol
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility19.3 g/LALOGPS
logP10(-0.43) g/LALOGPS
logP10(-1.3) g/LChemAxon
logS10(-1.1) g/LALOGPS
pKa (Strongest Acidic)1.18ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area124.29 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity53.31 m³·mol⁻¹ChemAxon
Polarizability22.59 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+158.40831661259
DarkChem[M+H]+158.40831661259
DarkChem[M-H]-152.17831661259
DarkChem[M-H]-152.17831661259
AllCCS[M+H]+154.73832859911
AllCCS[M-H]-150.78732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
5-Methylthioribulose 1-phosphateCSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O3578.1Standard polar33892256
5-Methylthioribulose 1-phosphateCSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O1786.6Standard non polar33892256
5-Methylthioribulose 1-phosphateCSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O2214.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
5-Methylthioribulose 1-phosphate,1TMS,isomer #1CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)COP(=O)(O)O2048.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,1TMS,isomer #2CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O2041.7Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,1TMS,isomer #3CSC[C@@H](O)[C@@H](O)C(=O)COP(=O)(O)O[Si](C)(C)C2078.3Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,1TMS,isomer #4CSC[C@@H](O)C(O)=C(COP(=O)(O)O)O[Si](C)(C)C2155.0Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,1TMS,isomer #5CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O)O)O[Si](C)(C)C2127.0Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TMS,isomer #1CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O2050.6Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TMS,isomer #10CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2194.7Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TMS,isomer #2CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)COP(=O)(O)O[Si](C)(C)C2109.9Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TMS,isomer #3CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O)O)O[Si](C)(C)C2185.2Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TMS,isomer #4CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O)O)O[Si](C)(C)C2158.5Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TMS,isomer #5CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C2106.3Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TMS,isomer #6CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C2133.9Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C2137.5Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TMS,isomer #8CSC[C@@H](O)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2141.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TMS,isomer #9CSC[C@@H](O)C(O)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2214.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #1CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C2135.0Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #1CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C2066.4Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #1CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C2688.9Standard polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #10CSC[C@@H](O)C(O)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2272.6Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #10CSC[C@@H](O)C(O)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2217.8Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #10CSC[C@@H](O)C(O)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2680.3Standard polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #11CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2223.4Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #11CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2136.1Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #11CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2689.4Standard polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #2CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C2162.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #2CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C2115.9Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #2CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C3069.5Standard polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #3CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C2156.2Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #3CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C2089.1Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #3CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C3004.7Standard polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #4CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2172.0Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #4CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2103.7Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #4CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2555.4Standard polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #5CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2245.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #5CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2159.4Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #5CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2868.3Standard polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #6CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2224.5Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #6CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2111.6Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #6CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2875.1Standard polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2157.3Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2103.3Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2482.8Standard polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #8CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2198.4Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #8CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2116.0Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #8CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2814.7Standard polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #9CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2204.3Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #9CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2076.6Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TMS,isomer #9CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2800.6Standard polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #1CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2209.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #1CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2134.0Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #1CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2380.8Standard polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #2CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2224.0Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #2CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2159.8Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #2CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2621.0Standard polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #3CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2236.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #3CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2118.2Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #3CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2607.1Standard polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #4CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2257.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #4CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2225.9Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #4CSC[C@@H](O[Si](C)(C)C)C(O)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2517.0Standard polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #5CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2241.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #5CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2166.8Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #5CSC[C@@H](O[Si](C)(C)C)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2521.9Standard polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #6CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2224.0Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #6CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2174.9Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #6CSC[C@@H](O)C(O[Si](C)(C)C)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2471.1Standard polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2218.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2123.5Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2450.8Standard polar33892256
5-Methylthioribulose 1-phosphate,5TMS,isomer #1CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2261.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,5TMS,isomer #1CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2223.2Standard non polar33892256
5-Methylthioribulose 1-phosphate,5TMS,isomer #1CSC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2376.8Standard polar33892256
5-Methylthioribulose 1-phosphate,5TMS,isomer #2CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2266.3Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,5TMS,isomer #2CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2169.4Standard non polar33892256
5-Methylthioribulose 1-phosphate,5TMS,isomer #2CSC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2344.9Standard polar33892256
5-Methylthioribulose 1-phosphate,1TBDMS,isomer #1CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)COP(=O)(O)O2285.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,1TBDMS,isomer #2CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O)O2293.3Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,1TBDMS,isomer #3CSC[C@@H](O)[C@@H](O)C(=O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2335.7Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,1TBDMS,isomer #4CSC[C@@H](O)C(O)=C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2395.6Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,1TBDMS,isomer #5CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2371.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TBDMS,isomer #1CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O)O2542.2Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TBDMS,isomer #10CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2642.2Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TBDMS,isomer #2CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2572.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TBDMS,isomer #3CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2623.2Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TBDMS,isomer #4CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2632.4Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TBDMS,isomer #5CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2592.0Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TBDMS,isomer #6CSC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2607.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TBDMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2611.7Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TBDMS,isomer #8CSC[C@@H](O)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2625.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,2TBDMS,isomer #9CSC[C@@H](O)C(O)=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2641.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #1CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2830.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #1CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2617.1Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #1CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2938.3Standard polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #10CSC[C@@H](O)C(O)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2895.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #10CSC[C@@H](O)C(O)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2700.0Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #10CSC[C@@H](O)C(O)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2947.3Standard polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #11CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2859.3Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #11CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2625.6Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #11CSC[C@@H](O)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2936.3Standard polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #2CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2838.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #2CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2664.0Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #2CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3204.4Standard polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #3CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2839.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #3CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2609.3Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #3CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3158.3Standard polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #4CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2833.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #4CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2614.3Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #4CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2849.0Standard polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #5CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2886.3Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #5CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2716.0Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #5CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3065.3Standard polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #6CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2888.9Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #6CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2640.3Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #6CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3067.8Standard polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2846.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2608.6Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2793.0Standard polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #8CSC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2870.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #8CSC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2658.4Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #8CSC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3023.2Standard polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #9CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2866.8Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #9CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2602.7Standard non polar33892256
5-Methylthioribulose 1-phosphate,3TBDMS,isomer #9CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3010.8Standard polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #1CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3073.3Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #1CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2770.3Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #1CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2765.6Standard polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #2CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3084.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #2CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2809.3Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #2CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2938.3Standard polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #3CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3085.0Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #3CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2772.6Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #3CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2917.7Standard polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #4CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3099.2Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #4CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2862.4Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #4CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2881.7Standard polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #5CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3072.6Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #5CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2791.2Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #5CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2862.2Standard polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #6CSC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3085.3Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #6CSC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2790.7Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #6CSC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2838.5Standard polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3061.0Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2744.5Standard non polar33892256
5-Methylthioribulose 1-phosphate,4TBDMS,isomer #7CSC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2806.7Standard polar33892256
5-Methylthioribulose 1-phosphate,5TBDMS,isomer #1CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3304.1Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,5TBDMS,isomer #1CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2948.8Standard non polar33892256
5-Methylthioribulose 1-phosphate,5TBDMS,isomer #1CSC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2847.9Standard polar33892256
5-Methylthioribulose 1-phosphate,5TBDMS,isomer #2CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3259.3Semi standard non polar33892256
5-Methylthioribulose 1-phosphate,5TBDMS,isomer #2CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2918.1Standard non polar33892256
5-Methylthioribulose 1-phosphate,5TBDMS,isomer #2CSC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2811.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 5-Methylthioribulose 1-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-01w1-9710000000-da3fc8534da2cd8957f42016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-Methylthioribulose 1-phosphate GC-MS (2 TMS) - 70eV, Positivesplash10-03di-7973000000-51639c96fd3e70d14bf82017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-Methylthioribulose 1-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 10V, Positive-QTOFsplash10-03dl-3590000000-48a371cabc865281cedb2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 20V, Positive-QTOFsplash10-01pc-3920000000-0f483ba04442297b46222016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 40V, Positive-QTOFsplash10-000g-9300000000-6e02d97a8ab3c704f8012016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 10V, Negative-QTOFsplash10-0002-9310000000-4f7b1426b6d9f8a88ffa2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 20V, Negative-QTOFsplash10-004j-9100000000-1e987229b4853fb450722016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-fe6a484561738ead9cd12016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 10V, Positive-QTOFsplash10-03di-1590000000-1113571c4892aa6f836e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 20V, Positive-QTOFsplash10-03ka-9400000000-da5dcbcf9b27c541867d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 40V, Positive-QTOFsplash10-0002-9000000000-fec7f320592a6e9bc8672021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 10V, Negative-QTOFsplash10-0a4r-3490000000-1b9248527c15132ff9ee2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 20V, Negative-QTOFsplash10-004j-9000000000-f420c16db721baadbf7c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Methylthioribulose 1-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-06c27ade5d32e8e9acda2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022541
KNApSAcK IDNot Available
Chemspider ID152225
KEGG Compound IDC04582
BioCyc IDCPD-1063
BiGG ID44103
Wikipedia LinkNot Available
METLIN ID6143
PubChem Compound174549
PDB IDNot Available
ChEBI ID28096
Food Biomarker OntologyNot Available
VMH ID5MDRU1P
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceImker, Heidi J.; Fedorov, Alexander A.; Fedorov, Elena V.; Almo, Steven C.; Gerlt, John A. Mechanistic Diversity in the RuBisCO Superfamily: The "Enolase" in the Methionine Salvage Pathway in Geobacillus kaustophilus. Biochemistry (2007), 46(13), 4077-4089.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Ghoda LY, Savarese TM, Dexter DL, Parks RE Jr, Trackman PC, Abeles RH: Characterization of a defect in the pathway for converting 5'-deoxy-5'-methylthioadenosine to methionine in a subline of a cultured heterogeneous human colon carcinoma. J Biol Chem. 1984 Jun 10;259(11):6715-9. [PubMed:6725268 ]
  2. Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Enzymes

General function:
Not Available
Specific function:
Catalyzes the interconversion of methylthioribose-1-phosphate (MTR-1-P) into methylthioribulose-1-phosphate (MTRu-1-P). Independently from catalytic activity, promotes cell invasion in response to constitutive RhoA activation by promoting FAK tyrosine phosphorylation and stress fiber turnover.
Gene Name:
MRI1
Uniprot ID:
Q9BV20
Molecular weight:
39149.38
Reactions
5-Methylthioribose 1-phosphate → 5-Methylthioribulose 1-phosphatedetails
General function:
Not Available
Specific function:
Catalyzes the dehydration of methylthioribulose-1-phosphate (MTRu-1-P) into 2,3-diketo-5-methylthiopentyl-1-phosphate (DK-MTP-1-P). Functions in the methionine salvage pathway, which plays a key role in cancer, apoptosis, microbial proliferation and inflammation. May inhibit the CASP1-related inflammatory response (pyroptosis), the CASP9-dependent apoptotic pathway and the cytochrome c-dependent and APAF1-mediated cell death.
Gene Name:
APIP
Uniprot ID:
Q96GX9
Molecular weight:
27125.065
Reactions
5-Methylthioribulose 1-phosphate → 5-(Methylthio)-2,3-dioxopentyl phosphate + Waterdetails