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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2007-04-12 15:12:23 UTC
Update Date2021-09-14 15:44:16 UTC
HMDB IDHMDB0005831
Secondary Accession Numbers
  • HMDB05831
Metabolite Identification
Common NameSorbitol-6-phosphate
DescriptionSorbitol-6-phosphate, also known as hexitol 1-phosphate, belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. Sorbitol-6-phosphate exists in all living organisms, ranging from bacteria to humans. Sorbitol-6-phosphate has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make sorbitol-6-phosphate a potential biomarker for the consumption of these foods. Sorbitol-6-phosphate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Sorbitol-6-phosphate.
Structure
Data?1582752367
Synonyms
ValueSource
Hexitol 1-phosphateKegg
Hexitol 1-phosphoric acidGenerator
Sorbitol-6-phosphoric acidGenerator
Sorbitol 6-phosphateMeSH
Alditol 6-phosphateHMDB
D-Mannitol, 1-(dihydrogenphosphate)HMDB
D-Mannitol-6-phosphateHMDB
D-Sorbitol 6-phosphateHMDB
Glucitol-6-phosphateHMDB
Chemical FormulaC6H15O9P
Average Molecular Weight262.1517
Monoisotopic Molecular Weight262.04536859
IUPAC Name[(2,3,4,5,6-pentahydroxyhexyl)oxy]phosphonic acid
Traditional Name(2,3,4,5,6-pentahydroxyhexyl)oxyphosphonic acid
CAS Registry Number20479-58-7
SMILES
OCC(O)C(O)C(O)C(O)COP(O)(O)=O
InChI Identifier
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)
InChI KeyGACTWZZMVMUKNG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentMonosaccharide phosphates
Alternative Parents
Substituents
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Secondary alcohol
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
RoleNot Available
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 Solubility26.6 g/LALOGPS
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 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity49.28 m³·mol⁻¹ChemAxon
Polarizability21.73 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+159.3331661259
DarkChem[M-H]-150.69331661259
DeepCCS[M+H]+141.65730932474
DeepCCS[M-H]-138.03530932474
DeepCCS[M-2H]-174.52130932474
DeepCCS[M+Na]+150.22830932474
AllCCS[M+H]+156.232859911
AllCCS[M+H-H2O]+153.032859911
AllCCS[M+NH4]+159.332859911
AllCCS[M+Na]+160.132859911
AllCCS[M-H]-148.532859911
AllCCS[M+Na-2H]-149.232859911
AllCCS[M+HCOO]-150.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Sorbitol-6-phosphateOCC(O)C(O)C(O)C(O)COP(O)(O)=O3799.7Standard polar33892256
Sorbitol-6-phosphateOCC(O)C(O)C(O)C(O)COP(O)(O)=O2196.4Standard non polar33892256
Sorbitol-6-phosphateOCC(O)C(O)C(O)C(O)COP(O)(O)=O2380.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Sorbitol-6-phosphate,1TMS,isomer #1C[Si](C)(C)OCC(O)C(O)C(O)C(O)COP(=O)(O)O2444.6Semi standard non polar33892256
Sorbitol-6-phosphate,1TMS,isomer #2C[Si](C)(C)OC(CO)C(O)C(O)C(O)COP(=O)(O)O2455.9Semi standard non polar33892256
Sorbitol-6-phosphate,1TMS,isomer #3C[Si](C)(C)OC(C(O)CO)C(O)C(O)COP(=O)(O)O2442.0Semi standard non polar33892256
Sorbitol-6-phosphate,1TMS,isomer #4C[Si](C)(C)OC(C(O)COP(=O)(O)O)C(O)C(O)CO2435.5Semi standard non polar33892256
Sorbitol-6-phosphate,1TMS,isomer #5C[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O)C(O)CO2436.5Semi standard non polar33892256
Sorbitol-6-phosphate,1TMS,isomer #6C[Si](C)(C)OP(=O)(O)OCC(O)C(O)C(O)C(O)CO2414.7Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)COP(=O)(O)O2439.0Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #10C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2419.1Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #11C[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C)C(O)CO2430.4Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #12C[Si](C)(C)OC(C(O)CO)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2442.0Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #13C[Si](C)(C)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O)C(O)CO2447.3Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #14C[Si](C)(C)OC(C(O)COP(=O)(O)O[Si](C)(C)C)C(O)C(O)CO2438.4Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #15C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O)C(O)CO2455.7Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #16C[Si](C)(C)OP(=O)(OCC(O)C(O)C(O)C(O)CO)O[Si](C)(C)C2467.2Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #2C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O2435.1Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #3C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2437.4Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #4C[Si](C)(C)OCC(O)C(O)C(O)C(COP(=O)(O)O)O[Si](C)(C)C2438.8Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #5C[Si](C)(C)OCC(O)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2447.7Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #6C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O2431.8Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #7C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2437.2Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #8C[Si](C)(C)OC(CO)C(O)C(O)C(COP(=O)(O)O)O[Si](C)(C)C2446.2Semi standard non polar33892256
Sorbitol-6-phosphate,2TMS,isomer #9C[Si](C)(C)OC(CO)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2462.4Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O2422.4Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #10C[Si](C)(C)OCC(O)C(O)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2436.5Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #11C[Si](C)(C)OCC(O)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2390.5Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #12C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2423.8Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #13C[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2427.9Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #14C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2448.9Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #15C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2433.3Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #16C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2452.6Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #17C[Si](C)(C)OC(CO)C(O)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2465.4Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #18C[Si](C)(C)OC(CO)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2414.4Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #19C[Si](C)(C)OC(COP(=O)(O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2437.6Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2422.8Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #20C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2437.0Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #21C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO2441.5Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #22C[Si](C)(C)OC(C(O)CO)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2391.5Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #23C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO2442.9Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #24C[Si](C)(C)OC(C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)CO2404.2Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #25C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)C(O)CO2433.8Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #3C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O)O)O[Si](C)(C)C2438.2Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2436.2Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #5C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2417.6Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #6C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C2415.6Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #7C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2436.1Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #8C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2433.7Semi standard non polar33892256
Sorbitol-6-phosphate,3TMS,isomer #9C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2447.5Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O2354.3Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #10C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2389.3Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #11C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2388.8Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #12C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2395.1Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #13C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2401.1Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #14C[Si](C)(C)OCC(O)C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2362.4Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #15C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2370.3Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #16C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2379.2Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #17C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2397.0Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #18C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2377.1Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #19C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2394.9Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C2369.9Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #20C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2385.5Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #21C[Si](C)(C)OC(CO)C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2405.3Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #22C[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2363.6Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #23C[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2357.5Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #24C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)CO2362.7Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #25C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)CO2364.2Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #3C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C2378.8Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2378.3Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #5C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2392.7Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #6C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2406.7Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #7C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2359.0Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #8C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2361.2Semi standard non polar33892256
Sorbitol-6-phosphate,4TMS,isomer #9C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2370.9Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C2325.6Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #10C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2368.7Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #11C[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2359.2Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #12C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2339.9Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #13C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2347.8Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #14C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C2353.6Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #15C[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2366.8Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #16C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CO2349.5Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C2329.1Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #3C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2340.7Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2348.7Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #5C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2342.0Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #6C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2366.2Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #7C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2365.9Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #8C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2333.5Semi standard non polar33892256
Sorbitol-6-phosphate,5TMS,isomer #9C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2348.0Semi standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2303.0Semi standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2331.0Standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2616.4Standard polar33892256
Sorbitol-6-phosphate,6TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2308.3Semi standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2358.6Standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #2C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2521.9Standard polar33892256
Sorbitol-6-phosphate,6TMS,isomer #3C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2321.2Semi standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #3C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2364.0Standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #3C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2537.1Standard polar33892256
Sorbitol-6-phosphate,6TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2322.7Semi standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2361.0Standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #4C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2534.3Standard polar33892256
Sorbitol-6-phosphate,6TMS,isomer #5C[Si](C)(C)OCC(O)C(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)C2313.4Semi standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #5C[Si](C)(C)OCC(O)C(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)C2355.3Standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #5C[Si](C)(C)OCC(O)C(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)C2516.7Standard polar33892256
Sorbitol-6-phosphate,6TMS,isomer #6C[Si](C)(C)OC(CO)C(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)C2315.3Semi standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #6C[Si](C)(C)OC(CO)C(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)C2350.1Standard non polar33892256
Sorbitol-6-phosphate,6TMS,isomer #6C[Si](C)(C)OC(CO)C(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)C2516.5Standard polar33892256
Sorbitol-6-phosphate,7TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(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)C2337.9Semi standard non polar33892256
Sorbitol-6-phosphate,7TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(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)C2402.4Standard non polar33892256
Sorbitol-6-phosphate,7TMS,isomer #1C[Si](C)(C)OCC(O[Si](C)(C)C)C(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)C2458.8Standard polar33892256
Sorbitol-6-phosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)COP(=O)(O)O2672.2Semi standard non polar33892256
Sorbitol-6-phosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O)COP(=O)(O)O2693.5Semi standard non polar33892256
Sorbitol-6-phosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O)COP(=O)(O)O2683.7Semi standard non polar33892256
Sorbitol-6-phosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(C(O)COP(=O)(O)O)C(O)C(O)CO2673.5Semi standard non polar33892256
Sorbitol-6-phosphate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O)C(O)CO2680.4Semi standard non polar33892256
Sorbitol-6-phosphate,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(O)OCC(O)C(O)C(O)C(O)CO2641.3Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)COP(=O)(O)O2852.5Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O2853.0Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO2849.7Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2858.5Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2866.0Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O)CO2858.9Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO2872.8Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OP(=O)(OCC(O)C(O)C(O)C(O)CO)O[Si](C)(C)C(C)(C)C2858.4Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O2836.1Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O2845.3Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2852.9Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2848.5Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O2876.2Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O2866.5Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2891.4Semi standard non polar33892256
Sorbitol-6-phosphate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2880.3Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O2990.0Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3006.4Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2999.0Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O2996.8Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3004.6Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3017.7Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2999.8Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3016.5Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3034.0Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3024.3Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO2985.5Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O2991.8Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3001.5Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO3001.0Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(C(O)CO)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2992.6Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO3006.5Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O)CO3009.5Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)CO3025.0Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3009.3Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3005.0Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O2985.6Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2985.1Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3004.8Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2998.4Semi standard non polar33892256
Sorbitol-6-phosphate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3011.5Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O3141.6Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O)C(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)C3177.5Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3154.6Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC(O)C(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)C3159.1Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC(O)C(O)C(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)C3157.4Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC(O)C(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)C3153.3Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(CO)C(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)C3148.1Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3175.8Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3184.6Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3160.6Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(CO)C(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)C3177.7Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3145.3Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(CO)C(O)C(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)C3170.7Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(CO)C(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)C3177.0Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO3149.6Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(C(O)CO)C(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)C3145.2Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CO3144.3Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CO3146.8Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3155.4Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3147.5Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3176.5Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3169.5Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3147.2Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O)C(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)C3145.4Semi standard non polar33892256
Sorbitol-6-phosphate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3177.1Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(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)C3316.6Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC(O)C(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)C3364.2Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC(O)C(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)C3340.8Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(CO)C(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)C3351.0Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(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)C3332.2Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C3349.9Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(CO)C(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)C3350.0Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO3321.4Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C3356.1Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(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)C3363.2Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3337.5Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(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)C3362.4Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(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)C3354.5Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(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)C3350.5Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(O)C(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)C3359.7Semi standard non polar33892256
Sorbitol-6-phosphate,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(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)C3347.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Sorbitol-6-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-006y-9540000000-86cf8d59afcce7584a3f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sorbitol-6-phosphate GC-MS (5 TMS) - 70eV, Positivesplash10-0a4r-4923567000-26272b4c862b92140c1d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sorbitol-6-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 - Sorbitol-6-phosphate 10V, Positive-QTOFsplash10-03dj-3690000000-bcc5097fd962872341bd2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sorbitol-6-phosphate 20V, Positive-QTOFsplash10-03kc-9610000000-ac374a4fe18a51efbab72015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sorbitol-6-phosphate 40V, Positive-QTOFsplash10-03kd-9200000000-651b0e98592a21df2d7e2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sorbitol-6-phosphate 10V, Negative-QTOFsplash10-084v-9820000000-12be868166849360c0492015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sorbitol-6-phosphate 20V, Negative-QTOFsplash10-004i-9200000000-7c23a52e0da63d89cc952015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sorbitol-6-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-0fa94fd955a1b1afa23a2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sorbitol-6-phosphate 10V, Positive-QTOFsplash10-01ot-1490000000-12387329e9bd6200d6252021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sorbitol-6-phosphate 20V, Positive-QTOFsplash10-0002-9100000000-750e7db58e5f275fa30d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sorbitol-6-phosphate 40V, Positive-QTOFsplash10-0002-9000000000-e36b916ac2d8b0b51b272021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sorbitol-6-phosphate 10V, Negative-QTOFsplash10-03fv-9770000000-0cbecca1580218d239512021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sorbitol-6-phosphate 20V, Negative-QTOFsplash10-0002-9000000000-d1fa83df44a17d03f7062021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sorbitol-6-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-177256aadc387d9ad2362021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.5 (0.0-1.0) uMAdult (>18 years old)Both
Prostate Cancer
details
Associated Disorders and Diseases
Disease References
Prostate cancer
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023777
KNApSAcK IDNot Available
Chemspider ID598
KEGG Compound IDC02810
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound618
PDB IDNot Available
ChEBI ID743019
Food Biomarker OntologyNot Available
VMH IDSBT6P
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Zhou R, Cheng L: Competitive inhibition of phosphoglucose isomerase of apple leaves by sorbitol 6-phosphate. J Plant Physiol. 2008 Jun 16;165(9):903-10. doi: 10.1016/j.jplph.2007.12.002. Epub 2008 Feb 1. [PubMed:18242768 ]

Enzymes

General function:
Involved in ATP binding
Specific function:
Catalyzes the initial step in utilization of glucose by the beta-cell and liver at physiological glucose concentration. Glucokinase has a high Km for glucose, and so it is effective only when glucose is abundant. The role of GCK is to provide G6P for the synthesis of glycogen. Pancreatic glucokinase plays an important role in modulating insulin secretion. Hepatic glucokinase helps to facilitate the uptake and conversion of glucose by acting as an insulin-sensitive determinant of hepatic glucose usage.
Gene Name:
GCK
Uniprot ID:
P35557
Molecular weight:
52191.07
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
HK3
Uniprot ID:
P52790
Molecular weight:
99024.56
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
HK2
Uniprot ID:
P52789
Molecular weight:
102379.06