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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:44:47 UTC
HMDB IDHMDB0000565
Secondary Accession Numbers
  • HMDB00565
Metabolite Identification
Common NameGalactonic acid
DescriptionGalactonic acid is a sugar acid that is a metabolic breakdown product of galactose. Galactose dehydrogenase is responsible for converting galactose to galactonolactone, which then spontaneously or enzymatically converts to galactonic acid. Once formed, galactonic acid may enter the pentose phosphate pathway. Galactonic acid is increased in red blood cells of galactosemic patients, due to a galactose-1-phosphate uridyltransferase (GALT) deficiency (PMID: 14680973 , OMMBID: The Online Metabolic and Molecular Bases of Inherited Disease, Ch.72). When present in sufficiently high levels, galactonic acid can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of galactonic acid are associated with at least two inborn errors of metabolism, including galactosemia and galactosemia type II. Galactonic acid is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart abnormalities, liver abnormalities (jaundice), kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of untreated galactosemia. Many affected children with organic acidemias experience intellectual disability or delayed development. High levels of galactonic acid in infants are specifically associated with hepatomegaly (an enlarged liver), cirrhosis, renal failure, cataracts, vomiting, seizure, hypoglycemia, lethargy, brain damage, and ovarian failure.
Structure
Data?1582752140
Synonyms
ValueSource
D-Galactonic acidKegg
D-GalactonateGenerator
GalactonateGenerator
Galactonic acid, (D)-isomerHMDB
Galactonic acid, monopotassium saltHMDB
Galactonic acid, (L)-isomerHMDB
Chemical FormulaC6H12O7
Average Molecular Weight196.1553
Monoisotopic Molecular Weight196.058302738
IUPAC Name(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
Traditional Namegalactonic acid
CAS Registry Number13382-27-9
SMILES
OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O
InChI Identifier
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1
InChI KeyRGHNJXZEOKUKBD-MGCNEYSASA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassMedium-chain hydroxy acids and derivatives
Direct ParentMedium-chain hydroxy acids and derivatives
Alternative Parents
Substituents
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Alpha-hydroxy acid
  • Monosaccharide
  • Fatty acyl
  • Fatty acid
  • Secondary alcohol
  • Polyol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Primary alcohol
  • Alcohol
  • Organic oxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point133 - 136 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility159 g/LALOGPS
logP-2.6ALOGPS
logP-3.4ChemAxon
logS-0.09ALOGPS
pKa (Strongest Acidic)3.39ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area138.45 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity38.27 m³·mol⁻¹ChemAxon
Polarizability17.07 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]+142.44631661259
DarkChem[M-H]-138.5831661259
AllCCS[M+H]+143.86932859911
AllCCS[M-H]-134.09132859911
DeepCCS[M+H]+148.9730932474
DeepCCS[M-H]-146.57430932474
DeepCCS[M-2H]-179.81230932474
DeepCCS[M+Na]+154.88230932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Galactonic acidOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O3328.4Standard polar33892256
Galactonic acidOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O1773.7Standard non polar33892256
Galactonic acidOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O1797.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Galactonic acid,1TMS,isomer #1C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O1796.7Semi standard non polar33892256
Galactonic acid,1TMS,isomer #2C[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)C(=O)O1788.4Semi standard non polar33892256
Galactonic acid,1TMS,isomer #3C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)[C@@H](O)C(=O)O1752.9Semi standard non polar33892256
Galactonic acid,1TMS,isomer #4C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)C(=O)O1757.3Semi standard non polar33892256
Galactonic acid,1TMS,isomer #5C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H](O)CO1754.6Semi standard non polar33892256
Galactonic acid,1TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO1778.3Semi standard non polar33892256
Galactonic acid,2TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O)C(=O)O1868.4Semi standard non polar33892256
Galactonic acid,2TMS,isomer #10C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O1819.9Semi standard non polar33892256
Galactonic acid,2TMS,isomer #11C[Si](C)(C)O[C@H]([C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)CO1830.8Semi standard non polar33892256
Galactonic acid,2TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO1835.9Semi standard non polar33892256
Galactonic acid,2TMS,isomer #13C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O[Si](C)(C)C)C(=O)O1826.5Semi standard non polar33892256
Galactonic acid,2TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO1825.1Semi standard non polar33892256
Galactonic acid,2TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO1823.3Semi standard non polar33892256
Galactonic acid,2TMS,isomer #2C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O1836.6Semi standard non polar33892256
Galactonic acid,2TMS,isomer #3C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O1832.5Semi standard non polar33892256
Galactonic acid,2TMS,isomer #4C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O1851.7Semi standard non polar33892256
Galactonic acid,2TMS,isomer #5C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C1857.7Semi standard non polar33892256
Galactonic acid,2TMS,isomer #6C[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O1849.6Semi standard non polar33892256
Galactonic acid,2TMS,isomer #7C[Si](C)(C)O[C@@H]([C@@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H](O)C(=O)O1840.6Semi standard non polar33892256
Galactonic acid,2TMS,isomer #8C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1849.4Semi standard non polar33892256
Galactonic acid,2TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1850.8Semi standard non polar33892256
Galactonic acid,3TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O1886.7Semi standard non polar33892256
Galactonic acid,3TMS,isomer #10C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1883.7Semi standard non polar33892256
Galactonic acid,3TMS,isomer #11C[Si](C)(C)O[C@@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O1885.0Semi standard non polar33892256
Galactonic acid,3TMS,isomer #12C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1903.9Semi standard non polar33892256
Galactonic acid,3TMS,isomer #13C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1895.8Semi standard non polar33892256
Galactonic acid,3TMS,isomer #14C[Si](C)(C)O[C@@H]([C@@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O1891.7Semi standard non polar33892256
Galactonic acid,3TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1897.5Semi standard non polar33892256
Galactonic acid,3TMS,isomer #16C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1893.7Semi standard non polar33892256
Galactonic acid,3TMS,isomer #17C[Si](C)(C)O[C@H]([C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)CO1874.5Semi standard non polar33892256
Galactonic acid,3TMS,isomer #18C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO1878.4Semi standard non polar33892256
Galactonic acid,3TMS,isomer #19C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO1883.4Semi standard non polar33892256
Galactonic acid,3TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O1890.1Semi standard non polar33892256
Galactonic acid,3TMS,isomer #20C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO1854.0Semi standard non polar33892256
Galactonic acid,3TMS,isomer #3C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O1909.4Semi standard non polar33892256
Galactonic acid,3TMS,isomer #4C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C1900.3Semi standard non polar33892256
Galactonic acid,3TMS,isomer #5C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O1884.4Semi standard non polar33892256
Galactonic acid,3TMS,isomer #6C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O1902.7Semi standard non polar33892256
Galactonic acid,3TMS,isomer #7C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C1898.4Semi standard non polar33892256
Galactonic acid,3TMS,isomer #8C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O1883.2Semi standard non polar33892256
Galactonic acid,3TMS,isomer #9C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C1892.5Semi standard non polar33892256
Galactonic acid,4TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O1919.5Semi standard non polar33892256
Galactonic acid,4TMS,isomer #10C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1926.6Semi standard non polar33892256
Galactonic acid,4TMS,isomer #11C[Si](C)(C)O[C@H]([C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O)[C@@H](CO)O[Si](C)(C)C1919.4Semi standard non polar33892256
Galactonic acid,4TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1938.2Semi standard non polar33892256
Galactonic acid,4TMS,isomer #13C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1940.0Semi standard non polar33892256
Galactonic acid,4TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1931.9Semi standard non polar33892256
Galactonic acid,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO1922.1Semi standard non polar33892256
Galactonic acid,4TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O1939.4Semi standard non polar33892256
Galactonic acid,4TMS,isomer #3C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C1948.7Semi standard non polar33892256
Galactonic acid,4TMS,isomer #4C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O1931.8Semi standard non polar33892256
Galactonic acid,4TMS,isomer #5C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C1936.2Semi standard non polar33892256
Galactonic acid,4TMS,isomer #6C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1945.3Semi standard non polar33892256
Galactonic acid,4TMS,isomer #7C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O1928.6Semi standard non polar33892256
Galactonic acid,4TMS,isomer #8C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C1936.7Semi standard non polar33892256
Galactonic acid,4TMS,isomer #9C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1943.0Semi standard non polar33892256
Galactonic acid,5TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O1927.2Semi standard non polar33892256
Galactonic acid,5TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C1942.2Semi standard non polar33892256
Galactonic acid,5TMS,isomer #3C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1935.7Semi standard non polar33892256
Galactonic acid,5TMS,isomer #4C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1931.0Semi standard non polar33892256
Galactonic acid,5TMS,isomer #5C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1910.7Semi standard non polar33892256
Galactonic acid,5TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1935.9Semi standard non polar33892256
Galactonic acid,6TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1983.7Semi standard non polar33892256
Galactonic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O2088.9Semi standard non polar33892256
Galactonic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)C(=O)O2075.2Semi standard non polar33892256
Galactonic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)[C@@H](O)C(=O)O2032.4Semi standard non polar33892256
Galactonic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)C(=O)O2021.7Semi standard non polar33892256
Galactonic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H](O)CO2056.9Semi standard non polar33892256
Galactonic acid,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO2063.9Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H](O)C(=O)O2316.2Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O2267.6Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[C@H](O)CO2303.5Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2304.4Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2284.7Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO2293.5Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO2298.2Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)C(=O)O2288.5Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O2282.6Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2329.8Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C2319.3Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)C(=O)O2311.2Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O2291.1Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2325.5Semi standard non polar33892256
Galactonic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2319.9Semi standard non polar33892256
Galactonic acid,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@H](O)[C@@H](O)C(=O)O2520.2Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2551.5Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O2532.1Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2578.3Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2575.3Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2566.0Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2577.8Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2570.6Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O)[C@H](O)CO2534.1Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2550.2Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2555.9Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O2532.8Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO2526.3Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2578.0Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C2559.8Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O2521.4Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2586.8Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C2568.6Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2562.1Semi standard non polar33892256
Galactonic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C2563.4Semi standard non polar33892256
Galactonic acid,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@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O2766.5Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](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)C2773.7Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]([C@H](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)C2798.7Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](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)C2799.5Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2790.9Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2786.9Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2762.0Semi standard non polar33892256
Galactonic acid,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@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2821.6Semi standard non polar33892256
Galactonic acid,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@H](O)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C2802.6Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2810.2Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C2802.1Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2793.9Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2803.2Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C2798.2Semi standard non polar33892256
Galactonic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2792.2Semi standard non polar33892256
Galactonic acid,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@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O3009.4Semi standard non polar33892256
Galactonic acid,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@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C3005.2Semi standard non polar33892256
Galactonic acid,5TBDMS,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@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2991.5Semi standard non polar33892256
Galactonic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](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)C2988.2Semi standard non polar33892256
Galactonic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](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)C2988.3Semi standard non polar33892256
Galactonic acid,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](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)C2997.1Semi standard non polar33892256
Galactonic acid,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@H](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)C3213.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Galactonic acid GC-MS (6 TMS)splash10-0gb9-1973000000-8a50553fe225b27795e12014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Galactonic acid GC-MS (Non-derivatized)splash10-0gb9-1973000000-8a50553fe225b27795e12017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Galactonic acid GC-EI-TOF (Non-derivatized)splash10-0002-0931000000-64524701c5b50ec7e8752017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-06tu-9500000000-abc0b019db16afd3352b2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (6 TMS) - 70eV, Positivesplash10-03fr-6121297000-698854fa2453487a1d692017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TBDMS_6_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS ("Galactonic acid,6TBDMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactonic acid GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactonic acid Quattro_QQQ 10V, N/A-QTOF (Annotated)splash10-056s-0900000000-9dfe4c3a61306fdf20512012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactonic acid Quattro_QQQ 25V, N/A-QTOF (Annotated)splash10-03di-3900000000-a0e411580bfda8c3c12e2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactonic acid Quattro_QQQ 40V, N/A-QTOF (Annotated)splash10-0300-9100000000-8235697c497449a4272d2012-07-24HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 10V, Positive-QTOFsplash10-004j-2900000000-9081b4da0decbd05f2d02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 20V, Positive-QTOFsplash10-03di-9400000000-79c4dcd310d5cacca35c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 40V, Positive-QTOFsplash10-08i9-9000000000-62e401fc518adf3537bd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 10V, Negative-QTOFsplash10-0adu-9600000000-2d2f2523012a7bbe0e8a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 20V, Negative-QTOFsplash10-0a4u-9300000000-00e22f3157480a68e6952017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 40V, Negative-QTOFsplash10-0a4i-9000000000-87d75121bafb2a63a0f82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 10V, Positive-QTOFsplash10-024m-8900000000-7ecf18d54cb462c045582021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 20V, Positive-QTOFsplash10-074i-9000000000-a24dd2cb9b57deddeaae2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 40V, Positive-QTOFsplash10-08fr-9000000000-ae48df53c8de11d2cae62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 10V, Negative-QTOFsplash10-004i-9100000000-ff1473e44b436e4f8fa52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 20V, Negative-QTOFsplash10-0a6r-9000000000-aac8778b161b37e56a132021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactonic acid 40V, Negative-QTOFsplash10-0a6r-9000000000-8920759ff7b62f3080182021-09-22Wishart 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
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2021-10-10Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, 5%_DMSO, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue Locations
  • Erythrocyte
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified2.00 (0.69 - 3.84) uMChildren (1-13 years old)Both
Normal
details
BloodDetected and Quantified2.00 (0.69 - 3.84) uMChildren (1 - 13 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedInfant (0-1 year old)Both
Normal
details
UrineDetected and Quantified0-130 umol/mmol creatinineNewborn (0-30 days old)Both
Normal
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified43.25 +/- 28.14 umol/mmol creatinineInfant (0-1 year old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified3.00 (0.68 - 6.47) uMChildren (1-13 years old)Not Specified
Galactosemia
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer details
Associated Disorders and Diseases
Disease References
Galactosemia
  1. Yager CT, Chen J, Reynolds R, Segal S: Galactitol and galactonate in red blood cells of galactosemic patients. Mol Genet Metab. 2003 Nov;80(3):283-9. [PubMed:14680973 ]
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022122
KNApSAcK IDC00053191
Chemspider ID114198
KEGG Compound IDC00880
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID3336
PubChem Compound128869
PDB IDNot Available
ChEBI ID16534
Food Biomarker OntologyNot Available
VMH IDGALCTN_D
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceLevene, P. A.; Simms, H. S. Lactone formation mono- and dicarboxylic sugar acids. Journal of Biological Chemistry (1925), 65 31-47.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Shoemaker JD, Elliott WH: Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease. J Chromatogr. 1991 Jan 2;562(1-2):125-38. [PubMed:2026685 ]
  2. Shinka T, Inoue Y, Peng H, Zhen-Wei X, Ose M, Kuhara T: Urine screening of five-day-old newborns: metabolic profiling of neonatal galactosuria. J Chromatogr B Biomed Sci Appl. 1999 Sep 24;732(2):469-77. [PubMed:10517369 ]
  3. Yager CT, Chen J, Reynolds R, Segal S: Galactitol and galactonate in red blood cells of galactosemic patients. Mol Genet Metab. 2003 Nov;80(3):283-9. [PubMed:14680973 ]