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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2007-05-23 00:55:05 UTC
Update Date2021-09-14 15:45:00 UTC
HMDB IDHMDB0006334
Secondary Accession Numbers
  • HMDB06334
Metabolite Identification
Common Name3-Dehydro-L-gulonate
Description3-Dehydro-L-gulonate belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. A derivative of L-gulonic acid having a keto group at the 3-position. 3-Dehydro-L-gulonate is an extremely weak basic (essentially neutral) compound (based on its pKa). 3-Dehydro-L-gulonate exists in all living organisms, ranging from bacteria to humans.
Structure
Data?1582752381
Synonyms
ValueSource
3-Dehydro-L-gulonic acidGenerator
L-Xylo-hex-3-ulosonic acidHMDB
Chemical FormulaC6H10O7
Average Molecular Weight194.1394
Monoisotopic Molecular Weight194.042652674
IUPAC Name(2S,4R,5S)-2,4,5,6-tetrahydroxy-3-oxohexanoic acid
Traditional Name3-dehydro-L-gulonic acid
CAS Registry NumberNot Available
SMILES
OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(O)=O
InChI Identifier
InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13)/t2-,3+,5-/m0/s1
InChI KeyWTAHRPBPWHCMHW-LWKDLAHASA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar acids and derivatives
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Medium-chain keto acid
  • Beta-keto acid
  • Sugar acid
  • Acyloin
  • Alpha-hydroxy acid
  • Beta-hydroxy ketone
  • Hydroxy acid
  • Keto acid
  • 1,3-dicarbonyl compound
  • Monosaccharide
  • Alpha-hydroxy ketone
  • Ketone
  • Secondary alcohol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Primary alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

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 Solubility105 g/LALOGPS
logP-2.6ALOGPS
logP-2.6ChemAxon
logS-0.27ALOGPS
pKa (Strongest Acidic)3.16ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area135.29 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.58 m³·mol⁻¹ChemAxon
Polarizability16.3 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]+142.27231661259
DarkChem[M-H]-138.25431661259
DeepCCS[M+H]+145.23330932474
DeepCCS[M-H]-142.83730932474
DeepCCS[M-2H]-176.04430932474
DeepCCS[M+Na]+151.14530932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3-Dehydro-L-gulonateOC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(O)=O2859.8Standard polar33892256
3-Dehydro-L-gulonateOC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(O)=O1570.3Standard non polar33892256
3-Dehydro-L-gulonateOC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(O)=O1656.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
3-Dehydro-L-gulonate,1TMS,isomer #1C[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(=O)O1710.9Semi standard non polar33892256
3-Dehydro-L-gulonate,1TMS,isomer #2C[Si](C)(C)O[C@@H](CO)[C@@H](O)C(=O)[C@H](O)C(=O)O1711.9Semi standard non polar33892256
3-Dehydro-L-gulonate,1TMS,isomer #3C[Si](C)(C)O[C@@H](C(=O)[C@H](O)C(=O)O)[C@@H](O)CO1678.5Semi standard non polar33892256
3-Dehydro-L-gulonate,1TMS,isomer #4C[Si](C)(C)O[C@H](C(=O)O)C(=O)[C@H](O)[C@@H](O)CO1679.0Semi standard non polar33892256
3-Dehydro-L-gulonate,1TMS,isomer #5C[Si](C)(C)OC(=O)[C@@H](O)C(=O)[C@H](O)[C@@H](O)CO1698.6Semi standard non polar33892256
3-Dehydro-L-gulonate,1TMS,isomer #6C[Si](C)(C)OC(=C(O)C(=O)O)[C@H](O)[C@@H](O)CO1798.7Semi standard non polar33892256
3-Dehydro-L-gulonate,1TMS,isomer #7C[Si](C)(C)OC(=C(O)[C@@H](O)CO)[C@H](O)C(=O)O1748.2Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)[C@H](O)C(=O)O1781.3Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #10C[Si](C)(C)OC(=C(O)C(=O)O)[C@H](O)[C@H](CO)O[Si](C)(C)C1875.3Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #11C[Si](C)(C)OC(=C(O)[C@H](CO)O[Si](C)(C)C)[C@H](O)C(=O)O1820.6Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #12C[Si](C)(C)O[C@H](C(=O)O)C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)CO1773.4Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #13C[Si](C)(C)OC(=O)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)CO1762.7Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #14C[Si](C)(C)OC(=C(O)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)CO1870.5Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #15C[Si](C)(C)OC(=C(O[Si](C)(C)C)[C@H](O)C(=O)O)[C@@H](O)CO1804.5Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #16C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O)[C@@H](O)CO1760.3Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #17C[Si](C)(C)OC(=C(O)[C@@H](O)CO)[C@H](O[Si](C)(C)C)C(=O)O1815.7Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #18C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)CO1833.8Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #19C[Si](C)(C)OC(=O)[C@@H](O)C(O[Si](C)(C)C)=C(O)[C@@H](O)CO1778.3Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #2C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O)C(=O)O1764.3Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #20C[Si](C)(C)OC(=O)C(O)=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)CO1828.9Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #3C[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C)C(=O)O1777.4Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #4C[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(=O)O[Si](C)(C)C1779.8Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #5C[Si](C)(C)OC[C@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(O)C(=O)O1859.7Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #6C[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C)[C@H](O)C(=O)O1801.1Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #7C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O)C(=O)O1773.7Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #8C[Si](C)(C)O[C@H](C(=O)O)C(=O)[C@H](O)[C@H](CO)O[Si](C)(C)C1787.5Semi standard non polar33892256
3-Dehydro-L-gulonate,2TMS,isomer #9C[Si](C)(C)OC(=O)[C@@H](O)C(=O)[C@H](O)[C@H](CO)O[Si](C)(C)C1786.2Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O)C(=O)O1820.4Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #10C[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1823.7Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #11C[Si](C)(C)OC[C@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O1905.8Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #12C[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O1875.3Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #13C[Si](C)(C)OC[C@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(O)C(=O)O[Si](C)(C)C1901.2Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #14C[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C)[C@H](O)C(=O)O[Si](C)(C)C1848.5Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #15C[Si](C)(C)O[C@H](C(=O)O)C(=O)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1855.2Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #16C[Si](C)(C)OC(=O)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1841.6Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #17C[Si](C)(C)OC(=C(O)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1951.6Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #18C[Si](C)(C)OC(=C(O[Si](C)(C)C)[C@H](O)C(=O)O)[C@H](CO)O[Si](C)(C)C1874.7Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #19C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O)[C@H](CO)O[Si](C)(C)C1842.5Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #2C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C)C(=O)O1846.1Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #20C[Si](C)(C)OC(=C(O)[C@H](CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O1893.9Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #21C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C1921.8Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #22C[Si](C)(C)OC(=O)[C@@H](O)C(O[Si](C)(C)C)=C(O)[C@H](CO)O[Si](C)(C)C1875.9Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #23C[Si](C)(C)OC(=O)C(O)=C(O[Si](C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C1916.2Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #24C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)CO1827.3Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #25C[Si](C)(C)OC(=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O)[C@@H](O)CO1871.9Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #26C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)CO1889.7Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #27C[Si](C)(C)OC(=O)[C@@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](O)CO1840.5Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #28C[Si](C)(C)OC(=O)C(O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)CO1890.9Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #29C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)[C@@H](O)CO1837.4Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #3C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)[C@H](O)C(=O)O[Si](C)(C)C1852.7Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #30C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)CO1846.8Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #4C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(O)C(=O)O1936.9Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #5C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H](O)C(=O)O1864.8Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #6C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O[Si](C)(C)C)C(=O)O1852.6Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #7C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O)C(=O)O[Si](C)(C)C1843.6Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #8C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(=O)O1937.5Semi standard non polar33892256
3-Dehydro-L-gulonate,3TMS,isomer #9C[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)C(=O)O1853.0Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O[Si](C)(C)C)C(=O)O1892.9Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #10C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1891.3Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #11C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O1959.4Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #12C[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O1931.3Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #13C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(=O)O[Si](C)(C)C1960.5Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #14C[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)C(=O)O[Si](C)(C)C1911.0Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #15C[Si](C)(C)OC[C@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1920.1Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #16C[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1900.4Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #17C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1884.5Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #18C[Si](C)(C)OC(=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O)[C@H](CO)O[Si](C)(C)C1936.5Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #19C[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1961.3Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #2C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O)C(=O)O[Si](C)(C)C1892.1Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #20C[Si](C)(C)OC(=O)[C@@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1924.7Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #21C[Si](C)(C)OC(=O)C(O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1971.1Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #22C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)[C@H](CO)O[Si](C)(C)C1914.2Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #23C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C1929.3Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #24C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](O)CO1901.2Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #25C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)CO1912.8Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #3C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(=O)O2005.4Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #4C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)C(=O)O1917.2Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #5C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1889.0Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #6C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O1964.1Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #7C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O1922.1Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #8C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(O)C(=O)O[Si](C)(C)C1969.5Semi standard non polar33892256
3-Dehydro-L-gulonate,4TMS,isomer #9C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H](O)C(=O)O[Si](C)(C)C1915.7Semi standard non polar33892256
3-Dehydro-L-gulonate,5TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1886.4Semi standard non polar33892256
3-Dehydro-L-gulonate,5TMS,isomer #10C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1909.8Semi standard non polar33892256
3-Dehydro-L-gulonate,5TMS,isomer #11C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1906.3Semi standard non polar33892256
3-Dehydro-L-gulonate,5TMS,isomer #2C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O1989.7Semi standard non polar33892256
3-Dehydro-L-gulonate,5TMS,isomer #3C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O1928.5Semi standard non polar33892256
3-Dehydro-L-gulonate,5TMS,isomer #4C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O)C(=O)O[Si](C)(C)C2005.7Semi standard non polar33892256
3-Dehydro-L-gulonate,5TMS,isomer #5C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)C(=O)O[Si](C)(C)C1913.3Semi standard non polar33892256
3-Dehydro-L-gulonate,5TMS,isomer #6C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1915.1Semi standard non polar33892256
3-Dehydro-L-gulonate,5TMS,isomer #7C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1928.0Semi standard non polar33892256
3-Dehydro-L-gulonate,5TMS,isomer #8C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1903.7Semi standard non polar33892256
3-Dehydro-L-gulonate,5TMS,isomer #9C[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1902.6Semi standard non polar33892256
3-Dehydro-L-gulonate,6TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1956.8Semi standard non polar33892256
3-Dehydro-L-gulonate,6TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C2018.5Standard non polar33892256
3-Dehydro-L-gulonate,6TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C2012.1Standard polar33892256
3-Dehydro-L-gulonate,6TMS,isomer #2C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1933.8Semi standard non polar33892256
3-Dehydro-L-gulonate,6TMS,isomer #2C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C2004.7Standard non polar33892256
3-Dehydro-L-gulonate,6TMS,isomer #2C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C2014.4Standard polar33892256
3-Dehydro-L-gulonate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(=O)O1982.2Semi standard non polar33892256
3-Dehydro-L-gulonate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O)C(=O)[C@H](O)C(=O)O1990.1Semi standard non polar33892256
3-Dehydro-L-gulonate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](C(=O)[C@H](O)C(=O)O)[C@@H](O)CO1951.3Semi standard non polar33892256
3-Dehydro-L-gulonate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H](C(=O)O)C(=O)[C@H](O)[C@@H](O)CO1981.6Semi standard non polar33892256
3-Dehydro-L-gulonate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)C(=O)[C@H](O)[C@@H](O)CO1974.0Semi standard non polar33892256
3-Dehydro-L-gulonate,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=C(O)C(=O)O)[C@H](O)[C@@H](O)CO2083.2Semi standard non polar33892256
3-Dehydro-L-gulonate,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=C(O)[C@@H](O)CO)[C@H](O)C(=O)O1999.2Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)[C@H](O)C(=O)O2222.7Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=C(O)C(=O)O)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C2353.7Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=C(O)[C@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O2279.0Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@H](C(=O)O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2250.5Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2228.9Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=C(O)C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2333.0Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=C(O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O)[C@@H](O)CO2279.4Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O)[C@@H](O)CO2229.5Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=C(O)[C@@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2261.0Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)CO2319.9Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O)[C@@H](O)CO2272.6Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O)C(=O)O2209.3Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)CO2307.6Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2247.8Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2235.2Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O)C(=O)O2338.7Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O2258.6Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O)C(=O)O2231.9Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H](C(=O)O)C(=O)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C2256.8Semi standard non polar33892256
3-Dehydro-L-gulonate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)C(=O)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C2251.1Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O)C(=O)O2467.7Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2505.9Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O2573.4Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2529.9Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O)C(=O)O[Si](C)(C)C(C)(C)C2559.3Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2540.0Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@H](C(=O)O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2540.4Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2535.0Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=C(O)C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2599.1Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=C(O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O)[C@H](CO)O[Si](C)(C)C(C)(C)C2532.3Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C2531.6Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2528.1Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=C(O)[C@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2545.1Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C2580.3Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](CO)O[Si](C)(C)C(C)(C)C2541.5Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C2566.6Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2502.3Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)CO2534.0Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2557.0Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2546.1Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2549.4Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O)[C@@H](O)CO2503.3Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2525.0Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)CO2534.3Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O)C(=O)O2589.9Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O2493.3Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2547.3Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2531.6Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O)C(=O)O2591.6Semi standard non polar33892256
3-Dehydro-L-gulonate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O2525.9Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2789.6Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2744.8Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](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)O2816.8Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2783.9Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O)C(=O)O[Si](C)(C)C(C)(C)C2804.3Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2786.9Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2784.2Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2777.1Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2748.5Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[C@H](CO)O[Si](C)(C)C(C)(C)C2789.0Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2803.0Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2763.6Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2782.8Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2803.1Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](CO)O[Si](C)(C)C(C)(C)C2776.3Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C2789.2Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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@@H](O)CO2750.1Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2759.9Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O)C(=O)O2842.6Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](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@H](O)C(=O)O2740.1Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2749.0Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O2817.0Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2753.7Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O)C(=O)O[Si](C)(C)C(C)(C)C2805.6Semi standard non polar33892256
3-Dehydro-L-gulonate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2762.9Semi standard non polar33892256
3-Dehydro-L-gulonate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2961.0Semi standard non polar33892256
3-Dehydro-L-gulonate,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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@H](CO)O[Si](C)(C)C(C)(C)C2975.0Semi standard non polar33892256
3-Dehydro-L-gulonate,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2978.8Semi standard non polar33892256
3-Dehydro-L-gulonate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](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)O3029.8Semi standard non polar33892256
3-Dehydro-L-gulonate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](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@H](O[Si](C)(C)C(C)(C)C)C(=O)O2984.7Semi standard non polar33892256
3-Dehydro-L-gulonate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O)C(=O)O[Si](C)(C)C(C)(C)C3019.8Semi standard non polar33892256
3-Dehydro-L-gulonate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](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@H](O)C(=O)O[Si](C)(C)C(C)(C)C2973.9Semi standard non polar33892256
3-Dehydro-L-gulonate,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2983.1Semi standard non polar33892256
3-Dehydro-L-gulonate,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2951.6Semi standard non polar33892256
3-Dehydro-L-gulonate,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](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)O[Si](C)(C)C(C)(C)C2978.7Semi standard non polar33892256
3-Dehydro-L-gulonate,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2967.5Semi standard non polar33892256
3-Dehydro-L-gulonate,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](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)O[Si](C)(C)C(C)(C)C3191.6Semi standard non polar33892256
3-Dehydro-L-gulonate,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](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)O[Si](C)(C)C(C)(C)C3009.1Standard non polar33892256
3-Dehydro-L-gulonate,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](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)O[Si](C)(C)C(C)(C)C2696.6Standard polar33892256
3-Dehydro-L-gulonate,6TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](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@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3178.4Semi standard non polar33892256
3-Dehydro-L-gulonate,6TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](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@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3004.8Standard non polar33892256
3-Dehydro-L-gulonate,6TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](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@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2695.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3-Dehydro-L-gulonate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0r29-9200000000-bfa5f284c8a99449827a2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Dehydro-L-gulonate GC-MS (5 TMS) - 70eV, Positivesplash10-00ku-4401960000-e7040dc9b253756697ac2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Dehydro-L-gulonate 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 - 3-Dehydro-L-gulonate 10V, Positive-QTOFsplash10-004j-2900000000-4ee99057131bac58d24b2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Dehydro-L-gulonate 20V, Positive-QTOFsplash10-0imi-9600000000-abad7f2422697e8886ed2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Dehydro-L-gulonate 40V, Positive-QTOFsplash10-0a4i-9100000000-7128eed92da683639fe82015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Dehydro-L-gulonate 10V, Negative-QTOFsplash10-05bu-9800000000-2f48ad5aa2d38b4abf962015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Dehydro-L-gulonate 20V, Negative-QTOFsplash10-0ap0-9500000000-96092591d92e04b163ef2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Dehydro-L-gulonate 40V, Negative-QTOFsplash10-0a4r-9100000000-833ef232e8c397c98dd32015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Dehydro-L-gulonate 10V, Negative-QTOFsplash10-00fr-9300000000-904e9656bc69e6510b012021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Dehydro-L-gulonate 20V, Negative-QTOFsplash10-0a6r-9100000000-dc8c8d7f3d7b9cbccc902021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Dehydro-L-gulonate 40V, Negative-QTOFsplash10-0a4i-9000000000-4026211091bf9f90ad002021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Dehydro-L-gulonate 10V, Positive-QTOFsplash10-00dl-9700000000-a0000aecbfc4c59cdcd52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Dehydro-L-gulonate 20V, Positive-QTOFsplash10-0cml-9200000000-df3574dae2a7dfc613292021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Dehydro-L-gulonate 40V, Positive-QTOFsplash10-08fr-9000000000-4d49c4220ff5afa3bdaf2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C 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 IDFDB023894
KNApSAcK IDNot Available
Chemspider ID388406
KEGG Compound IDC00618
BioCyc IDNot Available
BiGG ID35509
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound439273
PDB IDNot Available
ChEBI ID16142
Food Biomarker OntologyNot Available
VMH ID3DHGULN
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in 3-hydroxyacyl-CoA dehydrogenase activity
Specific function:
Not Available
Gene Name:
CRYL1
Uniprot ID:
Q9Y2S2
Molecular weight:
35418.91
Reactions
Gulonic acid + NAD → 3-Dehydro-L-gulonate + NADHdetails
Gulonic acid + NAD → 3-Dehydro-L-gulonate + NADH + Hydrogen Iondetails