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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:39:02 UTC
HMDB IDHMDB0000639
Secondary Accession Numbers
  • HMDB0003435
  • HMDB00639
  • HMDB03435
Metabolite Identification
Common NameGalactaric acid
DescriptionGalactaric acid, also known as mucic acid or galactarate, belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Technically, galactaric acid is an aldaric acid obtained by oxidation of galactose. Galactaric acid exists as a white crystalline powder, which melts at 210 - 230 oC. It is insoluble in alcohol, and nearly insoluble in cold water (1 g/300 mL) but more soluble in hot water (1 g/60 mL).. Galactaric acid exists in all living organisms, ranging from bacteria to plants to humans. In plants, galactaric acid is commonly produced or utilized as an osmorgulator (PMID: 31505987 ). Galactaric acid has been detected, but not quantified in, several different foods, such as fruits, vegetables and bovine milk. A recent large-scale dietary study found that galactaric acid can serve as a biomarker for long-term dairy intake and for the consumption of carotenoid-rich vegetables (PMID: 33566801 ). In food production, galactaric acid can be used to replace tartaric acid in self-rising flour or fizzies.
Structure
Data?1582752146
Synonyms
ValueSource
Acido galactaricoChEBI
Acido mucicoChEBI
GalactarsaeureChEBI
Galactosaccharic acidChEBI
GalaktarsaeureChEBI
Mucic acidChEBI
MucinsaeureChEBI
Saccharolactic acidChEBI
SchleimsaeureChEBI
D-Mucic acidKegg
D-Galactaric acidKegg
GalactarateKegg
GalactosaccharateGenerator
MucateGenerator
SaccharolactateGenerator
D-MucateGenerator
D-GalactarateGenerator
(2R,3S,4R,5S)-2,3,4,5-TetrahydroxyhexanedioateHMDB
(2R,3S,4R,5S)-2,3,4,5-Tetrahydroxyhexanedioic acidHMDB
Hexaric acidHMDB
Meso-galactaric acidHMDB
SchleimsaureHMDB
Strontium galactarate mono-hydrateHMDB
Galactaric acid, sodium saltHMDB
Chemical FormulaC6H10O8
Average Molecular Weight210.1388
Monoisotopic Molecular Weight210.037567296
IUPAC Name(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
Traditional Namemucin
CAS Registry Number526-99-8
SMILES
O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O
InChI Identifier
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
InChI KeyDSLZVSRJTYRBFB-DUHBMQHGSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlucuronic acid derivatives
Alternative Parents
Substituents
  • Glucuronic acid or derivatives
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Monosaccharide
  • Hydroxy acid
  • Dicarboxylic acid or derivatives
  • Alpha-hydroxy acid
  • Fatty acyl
  • Fatty acid
  • Secondary alcohol
  • Polyol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point220 - 225 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility3.3 mg/mL at 14 °CNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available132.1http://allccs.zhulab.cn/database/detail?ID=AllCCS00000377
Predicted Molecular Properties
PropertyValueSource
Water Solubility63.1 g/LALOGPS
logP10(-1.8) g/LALOGPS
logP10(-3.1) g/LChemAxon
logS10(-0.52) g/LALOGPS
pKa (Strongest Acidic)2.83ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area155.52 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity38.14 m³·mol⁻¹ChemAxon
Polarizability16.99 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]+147.5531661259
DarkChem[M-H]-142.48831661259
AllCCS[M+H]+146.0832859911
AllCCS[M-H]-135.20132859911
DeepCCS[M+H]+149.31430932474
DeepCCS[M-H]-146.91830932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Galactaric acidO[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O3320.0Standard polar33892256
Galactaric acidO[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O1675.9Standard non polar33892256
Galactaric acidO[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O1807.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Galactaric acid,1TMS,isomer #1C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C(=O)O)[C@@H](O)C(=O)O1798.9Semi standard non polar33892256
Galactaric acid,1TMS,isomer #2C[Si](C)(C)O[C@@H]([C@H](O)C(=O)O)[C@H](O)[C@@H](O)C(=O)O1798.9Semi standard non polar33892256
Galactaric acid,1TMS,isomer #3C[Si](C)(C)O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O1822.2Semi standard non polar33892256
Galactaric acid,1TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O1809.6Semi standard non polar33892256
Galactaric acid,1TMS,isomer #5C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O1822.2Semi standard non polar33892256
Galactaric acid,1TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O1809.6Semi standard non polar33892256
Galactaric acid,2TMS,isomer #1C[Si](C)(C)O[C@@H]([C@H](O)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O1851.3Semi standard non polar33892256
Galactaric acid,2TMS,isomer #10C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O)C(=O)O1872.1Semi standard non polar33892256
Galactaric acid,2TMS,isomer #11C[Si](C)(C)O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O1891.6Semi standard non polar33892256
Galactaric acid,2TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O1876.0Semi standard non polar33892256
Galactaric acid,2TMS,isomer #13C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O1876.0Semi standard non polar33892256
Galactaric acid,2TMS,isomer #14C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C1872.2Semi standard non polar33892256
Galactaric 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)C(=O)O1872.1Semi standard non polar33892256
Galactaric acid,2TMS,isomer #2C[Si](C)(C)O[C@H](C(=O)O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O1870.3Semi standard non polar33892256
Galactaric acid,2TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O1862.5Semi standard non polar33892256
Galactaric acid,2TMS,isomer #4C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C(=O)O)[C@@H](O[Si](C)(C)C)C(=O)O1876.8Semi standard non polar33892256
Galactaric acid,2TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)O1861.9Semi standard non polar33892256
Galactaric acid,2TMS,isomer #6C[Si](C)(C)O[C@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O1876.8Semi standard non polar33892256
Galactaric acid,2TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O1861.9Semi standard non polar33892256
Galactaric acid,2TMS,isomer #8C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O1870.3Semi standard non polar33892256
Galactaric acid,2TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O1862.5Semi standard non polar33892256
Galactaric acid,3TMS,isomer #1C[Si](C)(C)O[C@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O1923.0Semi standard non polar33892256
Galactaric acid,3TMS,isomer #10C[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)C(=O)O1895.1Semi standard non polar33892256
Galactaric acid,3TMS,isomer #11C[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)C(=O)O1895.1Semi standard non polar33892256
Galactaric acid,3TMS,isomer #12C[Si](C)(C)O[C@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O1952.1Semi standard non polar33892256
Galactaric acid,3TMS,isomer #13C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O1920.9Semi standard non polar33892256
Galactaric acid,3TMS,isomer #14C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O1929.1Semi standard non polar33892256
Galactaric acid,3TMS,isomer #15C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C1928.1Semi standard non polar33892256
Galactaric acid,3TMS,isomer #16C[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)C(=O)O1916.2Semi standard non polar33892256
Galactaric acid,3TMS,isomer #17C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O1917.6Semi standard non polar33892256
Galactaric acid,3TMS,isomer #18C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C1914.9Semi standard non polar33892256
Galactaric acid,3TMS,isomer #19C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O1917.6Semi standard non polar33892256
Galactaric acid,3TMS,isomer #2C[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)C(=O)O1908.5Semi standard non polar33892256
Galactaric acid,3TMS,isomer #20C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1914.9Semi standard non polar33892256
Galactaric acid,3TMS,isomer #3C[Si](C)(C)O[C@@H]([C@H](O)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O1923.0Semi standard non polar33892256
Galactaric acid,3TMS,isomer #4C[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)C(=O)O1908.5Semi standard non polar33892256
Galactaric acid,3TMS,isomer #5C[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)C(=O)O1916.2Semi standard non polar33892256
Galactaric acid,3TMS,isomer #6C[Si](C)(C)O[C@H](C(=O)O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O1952.1Semi standard non polar33892256
Galactaric acid,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O1929.1Semi standard non polar33892256
Galactaric acid,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O1920.9Semi standard non polar33892256
Galactaric acid,3TMS,isomer #9C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C1928.1Semi standard non polar33892256
Galactaric acid,4TMS,isomer #1C[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)C(=O)O1955.4Semi standard non polar33892256
Galactaric acid,4TMS,isomer #10C[Si](C)(C)OC(=O)[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)C1987.6Semi standard non polar33892256
Galactaric acid,4TMS,isomer #11C[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[Si](C)(C)C)C(=O)O1967.7Semi standard non polar33892256
Galactaric acid,4TMS,isomer #12C[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)C(=O)O[Si](C)(C)C1987.6Semi standard non polar33892256
Galactaric 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](O[Si](C)(C)C)C(=O)O1970.9Semi standard non polar33892256
Galactaric acid,4TMS,isomer #14C[Si](C)(C)OC(=O)[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)C1983.6Semi standard non polar33892256
Galactaric acid,4TMS,isomer #15C[Si](C)(C)OC(=O)[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)C1987.4Semi standard non polar33892256
Galactaric acid,4TMS,isomer #2C[Si](C)(C)O[C@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)O1976.5Semi standard non polar33892256
Galactaric acid,4TMS,isomer #3C[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[Si](C)(C)C)C(=O)O1967.0Semi standard non polar33892256
Galactaric acid,4TMS,isomer #4C[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[Si](C)(C)C)C(=O)O1967.0Semi standard non polar33892256
Galactaric acid,4TMS,isomer #5C[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)C(=O)O[Si](C)(C)C1980.0Semi standard non polar33892256
Galactaric acid,4TMS,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](O)C(=O)O1955.4Semi standard non polar33892256
Galactaric acid,4TMS,isomer #7C[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[Si](C)(C)C)C(=O)O1970.9Semi standard non polar33892256
Galactaric acid,4TMS,isomer #8C[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)C(=O)O[Si](C)(C)C1983.6Semi standard non polar33892256
Galactaric acid,4TMS,isomer #9C[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[Si](C)(C)C)C(=O)O1967.7Semi standard non polar33892256
Galactaric acid,5TMS,isomer #1C[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[Si](C)(C)C)C(=O)O1973.8Semi standard non polar33892256
Galactaric acid,5TMS,isomer #2C[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)C(=O)O[Si](C)(C)C1987.2Semi standard non polar33892256
Galactaric acid,5TMS,isomer #3C[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[Si](C)(C)C)C(=O)O1973.8Semi standard non polar33892256
Galactaric acid,5TMS,isomer #4C[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[Si](C)(C)C)C(=O)O[Si](C)(C)C1987.2Semi standard non polar33892256
Galactaric acid,5TMS,isomer #5C[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[Si](C)(C)C)C(=O)O[Si](C)(C)C1981.9Semi standard non polar33892256
Galactaric 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)[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1981.9Semi standard non polar33892256
Galactaric acid,6TMS,isomer #1C[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[Si](C)(C)C)C(=O)O[Si](C)(C)C1997.7Semi standard non polar33892256
Galactaric acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C(=O)O)[C@@H](O)C(=O)O2067.6Semi standard non polar33892256
Galactaric acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)O)[C@H](O)[C@@H](O)C(=O)O2067.6Semi standard non polar33892256
Galactaric acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O2120.3Semi standard non polar33892256
Galactaric acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O2099.1Semi standard non polar33892256
Galactaric acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O2120.3Semi standard non polar33892256
Galactaric acid,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O2099.1Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O2263.3Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #10CC(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)C(=O)O2330.8Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2345.5Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2338.8Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2338.8Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C2335.4Semi standard non polar33892256
Galactaric 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)C(=O)O2330.8Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #2CC(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](O)C(=O)O2312.8Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #3CC(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)C(=O)O2292.2Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2308.7Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #5CC(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)C(=O)O2297.1Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)C(=O)O2308.7Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #7CC(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)C(=O)O2297.1Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #8CC(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](O)C(=O)O2312.8Semi standard non polar33892256
Galactaric acid,2TBDMS,isomer #9CC(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)C(=O)O2292.2Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H](C(=O)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)O2532.9Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #10CC(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)C(=O)O2534.5Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #11CC(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)C(=O)O2534.5Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@H](C(=O)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)O2576.9Semi standard non polar33892256
Galactaric 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](O[Si](C)(C)C(C)(C)C)C(=O)O2571.6Semi standard non polar33892256
Galactaric acid,3TBDMS,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[Si](C)(C)C(C)(C)C)C(=O)O2591.4Semi standard non polar33892256
Galactaric 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](O)C(=O)O[Si](C)(C)C(C)(C)C2577.2Semi standard non polar33892256
Galactaric 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[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O2555.6Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #17CC(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[Si](C)(C)C(C)(C)C)C(=O)O2585.9Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #18CC(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)C(=O)O[Si](C)(C)C(C)(C)C2579.3Semi standard non polar33892256
Galactaric 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)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2585.9Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #2CC(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)C(=O)O2538.5Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)[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)C2579.3Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O2532.9Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #4CC(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)C(=O)O2538.5Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #5CC(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)C(=O)O2555.6Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #6CC(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](O[Si](C)(C)C(C)(C)C)C(=O)O2576.9Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #7CC(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[Si](C)(C)C(C)(C)C)C(=O)O2591.4Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #8CC(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[Si](C)(C)C(C)(C)C)C(=O)O2571.6Semi standard non polar33892256
Galactaric acid,3TBDMS,isomer #9CC(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)C(=O)O[Si](C)(C)C(C)(C)C2577.2Semi standard non polar33892256
Galactaric acid,4TBDMS,isomer #1CC(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)C(=O)O2779.8Semi standard non polar33892256
Galactaric acid,4TBDMS,isomer #10CC(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[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2796.9Semi standard non polar33892256
Galactaric acid,4TBDMS,isomer #11CC(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[Si](C)(C)C(C)(C)C)C(=O)O2818.8Semi standard non polar33892256
Galactaric acid,4TBDMS,isomer #12CC(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)C(=O)O[Si](C)(C)C(C)(C)C2796.9Semi standard non polar33892256
Galactaric 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](O[Si](C)(C)C(C)(C)C)C(=O)O2817.6Semi standard non polar33892256
Galactaric acid,4TBDMS,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[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2800.2Semi standard non polar33892256
Galactaric acid,4TBDMS,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[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2799.4Semi standard non polar33892256
Galactaric acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H](C(=O)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)O2798.4Semi standard non polar33892256
Galactaric acid,4TBDMS,isomer #3CC(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[Si](C)(C)C(C)(C)C)C(=O)O2817.6Semi standard non polar33892256
Galactaric acid,4TBDMS,isomer #4CC(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[Si](C)(C)C(C)(C)C)C(=O)O2817.6Semi standard non polar33892256
Galactaric acid,4TBDMS,isomer #5CC(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)C(=O)O[Si](C)(C)C(C)(C)C2799.6Semi standard non polar33892256
Galactaric acid,4TBDMS,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](O)C(=O)O2779.8Semi standard non polar33892256
Galactaric acid,4TBDMS,isomer #7CC(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[Si](C)(C)C(C)(C)C)C(=O)O2817.6Semi standard non polar33892256
Galactaric acid,4TBDMS,isomer #8CC(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)C(=O)O[Si](C)(C)C(C)(C)C2800.2Semi standard non polar33892256
Galactaric acid,4TBDMS,isomer #9CC(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[Si](C)(C)C(C)(C)C)C(=O)O2818.8Semi standard non polar33892256
Galactaric acid,5TBDMS,isomer #1CC(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[Si](C)(C)C(C)(C)C)C(=O)O3023.3Semi standard non polar33892256
Galactaric acid,5TBDMS,isomer #2CC(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)C(=O)O[Si](C)(C)C(C)(C)C3006.9Semi standard non polar33892256
Galactaric acid,5TBDMS,isomer #3CC(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[Si](C)(C)C(C)(C)C)C(=O)O3023.3Semi standard non polar33892256
Galactaric acid,5TBDMS,isomer #4CC(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[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3006.9Semi standard non polar33892256
Galactaric acid,5TBDMS,isomer #5CC(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[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3003.4Semi standard non polar33892256
Galactaric 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)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3003.4Semi standard non polar33892256
Galactaric acid,6TBDMS,isomer #1CC(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[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3229.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Galactaric acid GC-MS (6 TMS)splash10-001l-0987000000-76d3c6748cb8a79adc392014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Galactaric acid GC-MS (Non-derivatized)splash10-001l-0987000000-76d3c6748cb8a79adc392017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-05bf-9400000000-b80ffbca6c943091f16e2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (6 TMS) - 70eV, Positivesplash10-00b9-6011394000-83b916b3001ad13cf34d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TBDMS_4_8) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TBDMS_5_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TBDMS_6_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS ("Galactaric acid,4TBDMS,#8" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactaric acid GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid Quattro_QQQ 10V, Negative-QTOF (Annotated)splash10-052r-9260000000-16fac7d5f0f85285824d2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid Quattro_QQQ 25V, Negative-QTOF (Annotated)splash10-0abi-9000000000-80a4d5a9910d243f2e482012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid Quattro_QQQ 40V, Negative-QTOF (Annotated)splash10-0abc-9000000000-144a5e96a20e3c66ca9d2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOFsplash10-0a4i-0190000000-53cb6532b098f76158962012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOFsplash10-052r-9430000000-7bc8b56c9c00f7aed59f2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOFsplash10-000i-9000000000-34bca663662f41b516832012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOFsplash10-05fr-9000000000-c1a4fdc6f3d7d8e237aa2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOFsplash10-05fr-9000000000-f2f36dc0c7eca0f787102012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOFsplash10-052r-9240000000-c24ca4338feeca20c7f52012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QQ , negative-QTOFsplash10-0a4i-0190000000-53cb6532b098f76158962017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QQ , negative-QTOFsplash10-052r-9430000000-7bc8b56c9c00f7aed59f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QQ , negative-QTOFsplash10-000i-9000000000-34bca663662f41b516832017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QQ , negative-QTOFsplash10-05fr-9000000000-c1a4fdc6f3d7d8e237aa2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QQ , negative-QTOFsplash10-05fr-9000000000-f2f36dc0c7eca0f787102017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid LC-ESI-QTOF , negative-QTOFsplash10-052r-9240000000-c24ca4338feeca20c7f52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid 35V, Negative-QTOFsplash10-000i-9210000000-2f7e7ffe11298f785adc2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid 10V, Negative-QTOFsplash10-052r-9330000000-afb6ef48335ee358a6c72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid 40V, Negative-QTOFsplash10-05fu-9000000000-fe6896a18ce47504bbf52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactaric acid 20V, Negative-QTOFsplash10-052r-9000000000-6c2579c066e15d190bad2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactaric acid 10V, Positive-QTOFsplash10-03dl-1940000000-66a37b8eabfbc367df772017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactaric acid 20V, Positive-QTOFsplash10-0a4r-9700000000-ae255ce964e55a9644c52017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactaric acid 40V, Positive-QTOFsplash10-0a6r-9100000000-fa70d3c1751580028d652017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactaric acid 10V, Negative-QTOFsplash10-0adr-9820000000-19f2dbe53ca43b0a11952017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactaric acid 20V, Negative-QTOFsplash10-0a4r-9500000000-e0ce27927a6119cf14892017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Galactaric acid 40V, Negative-QTOFsplash10-0ap0-9100000000-0c338926a15f642737e12017-09-01Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Saliva
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
SalivaDetected and Quantified0.172 +/- 0.160 uMAdult (>18 years old)Both
Normal
    • Sugimoto et al. (...
details
SalivaDetected and Quantified0.266 +/- 0.160 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
details
SalivaDetected and Quantified0.312 +/- 0.202 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
details
UrineDetected and Quantified12.522 +/- 7.499 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer details
UrineDetected and Quantified19.066 +/- 16.587 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
details
Associated Disorders and Diseases
Disease References
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001205
KNApSAcK IDC00051648
Chemspider ID2301286
KEGG Compound IDC00879
BioCyc IDD-GALACTARATE
BiGG IDNot Available
Wikipedia LinkGalactaric_acid
METLIN ID5612
PubChem Compound3037582
PDB IDNot Available
ChEBI ID30852
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1735431
References
Synthesis ReferenceFauvarque, Jean-Francois; Guerin, Christophe; Petit, Serge; De Regis, Baynast. Process and electrolytic cell for preparing galactaric acid. Fr. Demande (1994), 14 pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Hirayama A, Nakashima E, Sugimoto M, Akiyama S, Sato W, Maruyama S, Matsuo S, Tomita M, Yuzawa Y, Soga T: Metabolic profiling reveals new serum biomarkers for differentiating diabetic nephropathy. Anal Bioanal Chem. 2012 Dec;404(10):3101-9. doi: 10.1007/s00216-012-6412-x. Epub 2012 Sep 29. [PubMed:23052862 ]
  2. Jana GA, Al Kharusi L, Sunkar R, Al-Yahyai R, Yaish MW: Metabolomic analysis of date palm seedlings exposed to salinity and silicon treatments. Plant Signal Behav. 2019;14(11):1663112. doi: 10.1080/15592324.2019.1663112. Epub 2019 Sep 11. [PubMed:31505987 ]
  3. Shibutami E, Ishii R, Harada S, Kurihara A, Kuwabara K, Kato S, Iida M, Akiyama M, Sugiyama D, Hirayama A, Sato A, Amano K, Sugimoto M, Soga T, Tomita M, Takebayashi T: Charged metabolite biomarkers of food intake assessed via plasma metabolomics in a population-based observational study in Japan. PLoS One. 2021 Feb 10;16(2):e0246456. doi: 10.1371/journal.pone.0246456. eCollection 2021. [PubMed:33566801 ]

Enzymes

General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:
UGT2B4
Uniprot ID:
P06133
Molecular weight:
60512.035
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate.
Gene Name:
UGT1A4
Uniprot ID:
P22310
Molecular weight:
60024.535
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:
UGT2B7
Uniprot ID:
P16662
Molecular weight:
60720.15
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:
UGT1A9
Uniprot ID:
O60656
Molecular weight:
59940.495
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:
UGT1A6
Uniprot ID:
P19224
Molecular weight:
60750.215