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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-05-22 15:12:04 UTC
Update Date2021-09-14 15:40:57 UTC
HMDB IDHMDB0002704
Secondary Accession Numbers
  • HMDB02704
Metabolite Identification
Common NameIduronic acid
DescriptionIduronic acid is a constituent of glycosaminoglycans heparin and heparan sulfate in varying proportions providing considerable diversity in sequence and biological function. The glycosaminoglycans (GAGs) are linear polysaccharides with alternating uronic acids (Iduronic acid and Glucuronic acid) and hexosamine residues, in which a limited set of monosaccharide units gives rise to a number of complex sequences by variable substitution with O-sulfate, N-sulfate, and N-acetyl groups. GAGs usually exist as the O-linked side-chains of proteoglycans, displaying a set of physiological functions which is remarkably wide and as yet incompletely explored. They may act as structural components of connective tissue and the extracellular matrix, or as specific ligands in the relationship between the cell surface and its surroundings. Heparan sulfate exists on the surface of most or all mammalian cells and can display a remarkable range of different sequence motifs; its range of interactions and possible functions reflect its structural complexity. The main repeat unit of heparin structurally resembles the protein binding sequences in heparan sulfate, but contains a higher percentage of sulfated residues. Utilized therapeutically as an anticoagulant and readily available in good quantities heparin serves as a useful model for heparan sulfate. Theoretical and experimental studies indicate that L-Iduronic acid residues of glycosaminoglycans are in equilibrium of different conformations, the relative proportion of conformers being a function of sulfation pattern and sequence. This unique conformational flexibility may provide an explanation for the stronger binding and associated higher biological activities of Iduronic acid-containing glycosaminoglycans (such as heparin, heparan sulfate and dermatan sulfate) as compared with other GAGs having similar charge density but with the more rigid glucuronic acid as the major uronic acid residue. Dermatan sulfates and heparins, which contain L-Iduronic acid in their backbone, show higher low-density lipoprotein (LDL)-affinity than chondroitin sulfates, which contain only D-glucuronic acid. Though confirming a non-specific, predominantly electrostatic interaction between GAGs and LDL, these results indicate modulation of LDL affinity by the polysaccharide backbone. Naturally oversulfated dermatan sulfate (SO3H/COOH ca. 1.2), mainly oversulfated at C-2 of Iduronic acid residues, show comparatively higher anticoagulant activity. (PMID: 3076283 , 8466951 , 8542607 , 11087707 ).
Structure
Data?1582752254
Synonyms
ValueSource
IduronateGenerator
L-IduronateHMDB
L-Iduronic acidHMDB
Acid, iduronicHMDB
(2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-oxohexanoateHMDB
Iduronic acidMeSH
Chemical FormulaC6H10O7
Average Molecular Weight194.1394
Monoisotopic Molecular Weight194.042652674
IUPAC Name(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
Traditional Nameiduronic acid
CAS Registry Number3402-98-0
SMILES
O[C@H](C=O)[C@H](O)[C@@H](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/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5+/m1/s1
InChI KeyIAJILQKETJEXLJ-LECHCGJUSA-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
  • Hexose monosaccharide
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Monosaccharide
  • Fatty acyl
  • Hydroxy acid
  • Fatty acid
  • Alpha-hydroxy acid
  • Beta-hydroxy aldehyde
  • Alpha-hydroxyaldehyde
  • Secondary alcohol
  • Polyol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Aldehyde
  • Carbonyl group
  • Alcohol
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility100 g/LALOGPS
logP10(-2.3) g/LALOGPS
logP10(-3.2) g/LChemAxon
logS10(-0.29) g/LALOGPS
pKa (Strongest Acidic)3.24ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area135.29 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.21 m³·mol⁻¹ChemAxon
Polarizability16.1 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]+144.45931661259
DarkChem[M-H]-140.01931661259

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Iduronic acidO[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)C(O)=O3132.1Standard polar33892256
Iduronic acidO[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)C(O)=O1542.4Standard non polar33892256
Iduronic acidO[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)C(O)=O1657.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Iduronic acid,1TMS,isomer #1C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O1726.2Semi standard non polar33892256
Iduronic acid,1TMS,isomer #2C[Si](C)(C)O[C@@H]([C@H](O)C=O)[C@@H](O)[C@H](O)C(=O)O1696.5Semi standard non polar33892256
Iduronic acid,1TMS,isomer #3C[Si](C)(C)O[C@@H]([C@H](O)C(=O)O)[C@@H](O)[C@H](O)C=O1689.2Semi standard non polar33892256
Iduronic acid,1TMS,isomer #4C[Si](C)(C)O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H](O)C=O1695.9Semi standard non polar33892256
Iduronic acid,1TMS,isomer #5C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O1698.4Semi standard non polar33892256
Iduronic acid,1TMS,isomer #6C[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O1877.0Semi standard non polar33892256
Iduronic acid,2TMS,isomer #1C[Si](C)(C)O[C@H](C=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)O1817.6Semi standard non polar33892256
Iduronic acid,2TMS,isomer #10C[Si](C)(C)O[C@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C=O1767.6Semi standard non polar33892256
Iduronic acid,2TMS,isomer #11C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C=O1768.2Semi standard non polar33892256
Iduronic acid,2TMS,isomer #12C[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O1875.6Semi standard non polar33892256
Iduronic acid,2TMS,isomer #13C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O)C=O1772.8Semi standard non polar33892256
Iduronic acid,2TMS,isomer #14C[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O1887.2Semi standard non polar33892256
Iduronic acid,2TMS,isomer #15C[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O[Si](C)(C)C1853.8Semi standard non polar33892256
Iduronic acid,2TMS,isomer #2C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O1809.8Semi standard non polar33892256
Iduronic acid,2TMS,isomer #3C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O1842.3Semi standard non polar33892256
Iduronic acid,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C1827.2Semi standard non polar33892256
Iduronic acid,2TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O)C(=O)O1935.6Semi standard non polar33892256
Iduronic acid,2TMS,isomer #6C[Si](C)(C)O[C@@H]([C@H](O)C=O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O1770.5Semi standard non polar33892256
Iduronic acid,2TMS,isomer #7C[Si](C)(C)O[C@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C=O1801.0Semi standard non polar33892256
Iduronic acid,2TMS,isomer #8C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C=O1795.7Semi standard non polar33892256
Iduronic acid,2TMS,isomer #9C[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)O1895.9Semi standard non polar33892256
Iduronic acid,3TMS,isomer #1C[Si](C)(C)O[C@H](C=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O1859.2Semi standard non polar33892256
Iduronic acid,3TMS,isomer #10C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O)C(=O)O[Si](C)(C)C1943.9Semi standard non polar33892256
Iduronic acid,3TMS,isomer #11C[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=O1859.1Semi standard non polar33892256
Iduronic acid,3TMS,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](O)C=O1868.6Semi standard non polar33892256
Iduronic acid,3TMS,isomer #13C[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O1926.1Semi standard non polar33892256
Iduronic acid,3TMS,isomer #14C[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=O1876.7Semi standard non polar33892256
Iduronic acid,3TMS,isomer #15C[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O1951.0Semi standard non polar33892256
Iduronic acid,3TMS,isomer #16C[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)O[Si](C)(C)C1921.9Semi standard non polar33892256
Iduronic acid,3TMS,isomer #17C[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=O1835.9Semi standard non polar33892256
Iduronic acid,3TMS,isomer #18C[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O1929.6Semi standard non polar33892256
Iduronic acid,3TMS,isomer #19C[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O[Si](C)(C)C1905.5Semi standard non polar33892256
Iduronic acid,3TMS,isomer #2C[Si](C)(C)O[C@H](C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C1896.0Semi standard non polar33892256
Iduronic acid,3TMS,isomer #20C[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1896.5Semi standard non polar33892256
Iduronic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C1879.4Semi standard non polar33892256
Iduronic acid,3TMS,isomer #4C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)O1958.1Semi standard non polar33892256
Iduronic acid,3TMS,isomer #5C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O1893.7Semi standard non polar33892256
Iduronic acid,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C1903.8Semi standard non polar33892256
Iduronic acid,3TMS,isomer #7C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O1959.5Semi standard non polar33892256
Iduronic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C1904.3Semi standard non polar33892256
Iduronic acid,3TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O1968.2Semi standard non polar33892256
Iduronic acid,4TMS,isomer #1C[Si](C)(C)O[C@H](C=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O1904.0Semi standard non polar33892256
Iduronic acid,4TMS,isomer #10C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1975.9Semi standard non polar33892256
Iduronic 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[Si](C)(C)C)[C@H](O)C=O1920.3Semi standard non polar33892256
Iduronic acid,4TMS,isomer #12C[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O1977.4Semi standard non polar33892256
Iduronic acid,4TMS,isomer #13C[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O[Si](C)(C)C1962.5Semi standard non polar33892256
Iduronic acid,4TMS,isomer #14C[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1977.3Semi standard non polar33892256
Iduronic acid,4TMS,isomer #15C[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C1947.6Semi standard non polar33892256
Iduronic acid,4TMS,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](C=O)O[Si](C)(C)C1915.4Semi standard non polar33892256
Iduronic acid,4TMS,isomer #3C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O1969.7Semi standard non polar33892256
Iduronic acid,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C1926.3Semi standard non polar33892256
Iduronic acid,4TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)O1991.2Semi standard non polar33892256
Iduronic acid,4TMS,isomer #6C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)O[Si](C)(C)C1975.5Semi standard non polar33892256
Iduronic acid,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C1938.2Semi standard non polar33892256
Iduronic acid,4TMS,isomer #8C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)O1980.9Semi standard non polar33892256
Iduronic acid,4TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)O[Si](C)(C)C1975.3Semi standard non polar33892256
Iduronic 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](C=O)O[Si](C)(C)C1938.8Semi standard non polar33892256
Iduronic acid,5TMS,isomer #2C[Si](C)(C)OC=C(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)O1984.8Semi standard non polar33892256
Iduronic acid,5TMS,isomer #3C[Si](C)(C)OC=C(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)C1989.6Semi standard non polar33892256
Iduronic acid,5TMS,isomer #4C[Si](C)(C)OC=C(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)C2003.7Semi standard non polar33892256
Iduronic acid,5TMS,isomer #5C[Si](C)(C)OC=C(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)C1992.6Semi standard non polar33892256
Iduronic acid,5TMS,isomer #6C[Si](C)(C)OC=C(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)C1967.0Semi standard non polar33892256
Iduronic acid,6TMS,isomer #1C[Si](C)(C)OC=C(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)C1999.4Semi standard non polar33892256
Iduronic acid,6TMS,isomer #1C[Si](C)(C)OC=C(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)C1978.5Standard non polar33892256
Iduronic acid,6TMS,isomer #1C[Si](C)(C)OC=C(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)C2060.3Standard polar33892256
Iduronic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O2013.7Semi standard non polar33892256
Iduronic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C=O)[C@@H](O)[C@H](O)C(=O)O1969.6Semi standard non polar33892256
Iduronic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C(=O)O)[C@@H](O)[C@H](O)C=O1947.7Semi standard non polar33892256
Iduronic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H](O)C=O1979.9Semi standard non polar33892256
Iduronic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O1977.0Semi standard non polar33892256
Iduronic acid,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O2128.6Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H](C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=O)O2259.0Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #10CC(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=O2216.2Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #11CC(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=O2230.4Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O2326.6Semi standard non polar33892256
Iduronic acid,2TBDMS,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)[C@H](O)C=O2236.2Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2366.4Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC=C(O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2345.2Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H](C=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O2256.3Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2291.5Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C(C)(C)C2276.8Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H](O)C(=O)O2388.3Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O2218.9Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #7CC(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=O2263.7Semi standard non polar33892256
Iduronic acid,2TBDMS,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)C=O2261.7Semi standard non polar33892256
Iduronic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)C(=O)O2365.4Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H](C=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)O2506.8Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(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)C2592.6Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #11CC(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=O2513.6Semi standard non polar33892256
Iduronic acid,3TBDMS,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](O)C=O2514.8Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC=C(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)O2552.5Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #14CC(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=O2522.1Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC=C(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)O2603.6Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC=C(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)C2595.1Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #17CC(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=O2470.5Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC=C(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)O2554.9Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC=C(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)C2560.1Semi standard non polar33892256
Iduronic acid,3TBDMS,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](C=O)O[Si](C)(C)C(C)(C)C2560.6Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC=C(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)C2553.7Semi standard non polar33892256
Iduronic acid,3TBDMS,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](C=O)O[Si](C)(C)C(C)(C)C2552.7Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #4CC(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@@H](O)[C@H](O)C(=O)O2553.6Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](C=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)O2563.0Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #6CC(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](C=O)O[Si](C)(C)C(C)(C)C2573.4Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(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)O2578.1Semi standard non polar33892256
Iduronic acid,3TBDMS,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)[C@@H](C=O)O[Si](C)(C)C(C)(C)C2567.6Semi standard non polar33892256
Iduronic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(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)O2623.3Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H](C=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)O2785.0Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(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)C2822.8Semi standard non polar33892256
Iduronic 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[Si](C)(C)C(C)(C)C)[C@H](O)C=O2753.1Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC=C(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)O2799.6Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC=C(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)C2803.7Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC=C(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)C2818.7Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC=C(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)C2781.6Semi standard non polar33892256
Iduronic acid,4TBDMS,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](C=O)O[Si](C)(C)C(C)(C)C2773.0Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #3CC(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@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O2768.9Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #4CC(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](C=O)O[Si](C)(C)C(C)(C)C2762.4Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #5CC(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@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O2826.7Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #6CC(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@@H](O)[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2816.4Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #7CC(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](C=O)O[Si](C)(C)C(C)(C)C2799.5Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC=C(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)O2820.2Semi standard non polar33892256
Iduronic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(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)C2819.3Semi standard non polar33892256
Iduronic 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](C=O)O[Si](C)(C)C(C)(C)C2965.3Semi standard non polar33892256
Iduronic acid,5TBDMS,isomer #2CC(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@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O3003.7Semi standard non polar33892256
Iduronic acid,5TBDMS,isomer #3CC(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@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(=O)O[Si](C)(C)C(C)(C)C2993.3Semi standard non polar33892256
Iduronic acid,5TBDMS,isomer #4CC(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@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2995.6Semi standard non polar33892256
Iduronic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(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)C2995.8Semi standard non polar33892256
Iduronic acid,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(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)C2982.8Semi standard non polar33892256
Iduronic acid,6TBDMS,isomer #1CC(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@@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)C3189.6Semi standard non polar33892256
Iduronic acid,6TBDMS,isomer #1CC(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@@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)C2996.8Standard non polar33892256
Iduronic acid,6TBDMS,isomer #1CC(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@@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)C2701.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Iduronic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-000i-9700000000-cdaf9f94e02e4e7ba7d22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Iduronic acid GC-MS (5 TMS) - 70eV, Positivesplash10-009i-4212940000-02a8091c226f3a41d70e2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Iduronic acid 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 - Iduronic acid 10V, Positive-QTOFsplash10-056s-2900000000-86606b8382ffe403bc8e2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Iduronic acid 20V, Positive-QTOFsplash10-0a4i-9500000000-af67bc97552641417bee2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Iduronic acid 40V, Positive-QTOFsplash10-0a4i-9100000000-205a7cff1e298283a0802016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Iduronic acid 10V, Negative-QTOFsplash10-05p9-9700000000-ee070fab487c9f3e49b72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Iduronic acid 20V, Negative-QTOFsplash10-0a4r-9400000000-284825e422ba9585f17b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Iduronic acid 40V, Negative-QTOFsplash10-0a4i-9100000000-64d4f9d758e2a4eeba682016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Iduronic acid 10V, Negative-QTOFsplash10-00fr-9300000000-77aa1619935fe785e3972021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Iduronic acid 20V, Negative-QTOFsplash10-0a6r-9000000000-da4be7e32a829503c0212021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Iduronic acid 40V, Negative-QTOFsplash10-0a6r-9000000000-c1c9308cd925f43d015f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Iduronic acid 10V, Positive-QTOFsplash10-01y5-7900000000-df218a4e340a0ff668c12021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Iduronic acid 20V, Positive-QTOFsplash10-03kl-9100000000-d22d4d2644d77203331d2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Iduronic acid 40V, Positive-QTOFsplash10-08fu-9000000000-93301767b758d212114f2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Lysosome
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Fibroblasts
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
details
UrineDetected and Quantified0.017 - 0.15 umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal
    • T. TOIDA, G. QIU,...
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023047
KNApSAcK IDNot Available
Chemspider ID17794
KEGG Compound IDC06472
BioCyc IDNot Available
BiGG ID48353
Wikipedia LinkIduronic acid
METLIN ID3331
PubChem Compound18845
PDB IDNot Available
ChEBI ID24769
Food Biomarker OntologyNot Available
VMH IDIDOUR
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceRoden, Lennart; Dorfman, Albert. Metabolism of mucopolysaccharides in mammalian tissues. V. Origin of L-iduronic acid. Journal of Biological Chemistry (1958), 233 1030-3.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Fuller M, Meikle PJ, Hopwood JJ: Glycosaminoglycan degradation fragments in mucopolysaccharidosis I. Glycobiology. 2004 May;14(5):443-50. Epub 2004 Jan 12. [PubMed:14718373 ]
  2. Cheng F, Petersson P, Arroyo-Yanguas Y, Westergren-Thorsson G: Differences in the uptake and nuclear localization of anti-proliferative heparan sulfate between human lung fibroblasts and human lung carcinoma cells. J Cell Biochem. 2001;83(4):597-606. [PubMed:11746503 ]
  3. Inoue H, Otsu K, Suzuki S, Nakanishi Y: Difference between N-acetylgalactosamine 4-sulfate 6-O-sulfotransferases from human serum and squid cartilage in specificity toward the terminal and interior portion of chondroitin sulfate. J Biol Chem. 1986 Apr 5;261(10):4470-5. [PubMed:3082866 ]
  4. Ginsberg LC, Di Ferrante DT, Di Ferrante N: A substrate for direct measurement of L-iduronic acid 2-sulfate sulfatase. Carbohydr Res. 1978 Jul;64:225-35. [PubMed:98232 ]
  5. Casu B, Petitou M, Provasoli M, Sinay P: Conformational flexibility: a new concept for explaining binding and biological properties of iduronic acid-containing glycosaminoglycans. Trends Biochem Sci. 1988 Jun;13(6):221-5. [PubMed:3076283 ]
  6. Gigli M, Ghiselli G, Torri G, Naggi A, Rizzo V: A comparative study of low-density lipoprotein interaction with glycosaminoglycans. Biochim Biophys Acta. 1993 Apr 7;1167(2):211-7. [PubMed:8466951 ]
  7. Bartolucci C, Cellai L, Iannelli MA, Lamba D, Liverani L, Mascellani G, Perola E: Inhibition of human leukocyte elastase by chemically and naturally oversulfated galactosaminoglycans. Carbohydr Res. 1995 Oct 23;276(2):401-8. [PubMed:8542607 ]
  8. Mulloy B, Forster MJ: Conformation and dynamics of heparin and heparan sulfate. Glycobiology. 2000 Nov;10(11):1147-56. [PubMed:11087707 ]

Only showing the first 10 proteins. There are 13 proteins in total.

Enzymes

General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) to catalyze the transfer of a sulfo group to an N-unsubstituted glucosamine linked to a 2-O-sulfo iduronic acid unit on heparan sulfate. Catalyzes the O-sulfation of glucosamine in IdoUA2S-GlcNS and also in IdoUA2S-GlcNH2. The substrate-specific O-sulfation generates an enzyme-modified heparan sulfate which acts as a binding receptor to Herpes simplex virus-1 (HSV-1) and permits its entry. Unlike 3-OST-1, does not convert non-anticoagulant heparan sulfate to anticoagulant heparan sulfate.
Gene Name:
HS3ST3B1
Uniprot ID:
Q9Y662
Molecular weight:
43323.605
General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) to catalyze the transfer of a sulfo group to an N-unsubstituted glucosamine linked to a 2-O-sulfo iduronic acid unit on heparan sulfate. Catalyzes the O-sulfation of glucosamine in IdoUA2S-GlcNS and also in IdoUA2S-GlcNH2. The substrate-specific O-sulfation generates an enzyme-modified heparan sulfate which acts as a binding receptor to Herpes simplex virus-1 (HSV-1) and permits its entry. Unlike 3-OST-1, does not convert non-anticoagulant heparan sulfate to anticoagulant heparan sulfate.
Gene Name:
HS3ST3A1
Uniprot ID:
Q9Y663
Molecular weight:
44899.155
General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) to catalyze the transfer of a sulfo group to an N-unsubstituted glucosamine linked to a 2-O-sulfo iduronic acid unit on heparan sulfate. Unlike 3-OST-1, does not convert non-anticoagulant heparan sulfate to anticoagulant heparan sulfate (By similarity).
Gene Name:
HS3ST4
Uniprot ID:
Q9Y661
Molecular weight:
49798.645
General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) to catalyze the transfer of a sulfo group to an N-unsubstituted glucosamine linked to a 2-O-sulfo iduronic acid unit on heparan sulfate. Catalyzes the O-sulfation of glucosamine in GlcA2S-GlcNS. Unlike 3-OST-1, does not convert non-anticoagulant heparan sulfate to anticoagulant heparan sulfate.
Gene Name:
HS3ST2
Uniprot ID:
Q9Y278
Molecular weight:
41500.57
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

Only showing the first 10 proteins. There are 13 proteins in total.