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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:00:20 UTC
Update Date2021-09-14 15:16:34 UTC
HMDB IDHMDB0013884
Secondary Accession Numbers
  • HMDB13884
Metabolite Identification
Common NameR-10-Hydroxywarfarin
DescriptionR-10-Hydroxywarfarin belongs to the class of organic compounds known as homoisoflavones. These are homoisoflavonoids with a structure based on the chromone system. Chromone is a bicyclic compound consisting of a 1-benzopyran, which bears a ketone group at the 4-position. Based on a literature review very few articles have been published on R-10-Hydroxywarfarin.
Structure
Data?1582753151
SynonymsNot Available
Chemical FormulaC19H16O5
Average Molecular Weight324.3273
Monoisotopic Molecular Weight324.099773622
IUPAC Name2-hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]-4H-chromen-4-one
Traditional Name2-hydroxy-3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]chromen-4-one
CAS Registry NumberNot Available
SMILES
[H][C@@](C(O)C(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O
InChI Identifier
InChI=1S/C19H16O5/c1-11(20)17(21)15(12-7-3-2-4-8-12)16-18(22)13-9-5-6-10-14(13)24-19(16)23/h2-10,15,17,21,23H,1H3/t15-,17?/m1/s1
InChI KeyKLDFTXZRAPVGLB-LDCVWXEPSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as homoisoflavones. These are homoisoflavonoids with a structure based on the chromone system. Chromone is a bicyclic compound consisting of a 1-benzopyran, which bears a ketone group at the 4-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassHomoisoflavonoids
Sub ClassHomoisoflavones
Direct ParentHomoisoflavones
Alternative Parents
Substituents
  • Homoisoflavone
  • Chromone
  • Coumarin
  • Benzopyran
  • 1-benzopyran
  • Pyranone
  • Acyloin
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Alpha-hydroxy ketone
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Ketone
  • Oxacycle
  • Organoheterocyclic compound
  • Carbonyl group
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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 Solubility0.22 g/LALOGPS
logP1.97ALOGPS
logP2.73ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)5.54ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area83.83 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity97.4 m³·mol⁻¹ChemAxon
Polarizability32.76 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+176.10131661259
AllCCS[M-H]-178.84331661259
DeepCCS[M+H]+167.80930932474
DeepCCS[M-H]-165.45130932474
DeepCCS[M-2H]-199.23830932474
DeepCCS[M+Na]+174.41730932474
AllCCS[M+H]+176.132859911
AllCCS[M+H-H2O]+172.732859911
AllCCS[M+NH4]+179.332859911
AllCCS[M+Na]+180.232859911
AllCCS[M-H]-178.832859911
AllCCS[M+Na-2H]-178.432859911
AllCCS[M+HCOO]-178.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
R-10-Hydroxywarfarin[H][C@@](C(O)C(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O3823.1Standard polar33892256
R-10-Hydroxywarfarin[H][C@@](C(O)C(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2651.4Standard non polar33892256
R-10-Hydroxywarfarin[H][C@@](C(O)C(C)=O)(C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2720.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
R-10-Hydroxywarfarin,1TMS,isomer #1CC(=O)C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2705.1Semi standard non polar33892256
R-10-Hydroxywarfarin,1TMS,isomer #1CC(=O)C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2705.1Semi standard non polar33892256
R-10-Hydroxywarfarin,1TMS,isomer #2CC(=O)C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2779.0Semi standard non polar33892256
R-10-Hydroxywarfarin,1TMS,isomer #2CC(=O)C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2779.0Semi standard non polar33892256
R-10-Hydroxywarfarin,1TMS,isomer #3CC(O[Si](C)(C)C)=C(O)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2798.6Semi standard non polar33892256
R-10-Hydroxywarfarin,1TMS,isomer #3CC(O[Si](C)(C)C)=C(O)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2798.6Semi standard non polar33892256
R-10-Hydroxywarfarin,1TMS,isomer #4C=C(O[Si](C)(C)C)C(O)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2733.7Semi standard non polar33892256
R-10-Hydroxywarfarin,1TMS,isomer #4C=C(O[Si](C)(C)C)C(O)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2733.7Semi standard non polar33892256
R-10-Hydroxywarfarin,2TMS,isomer #1CC(=O)C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2780.3Semi standard non polar33892256
R-10-Hydroxywarfarin,2TMS,isomer #1CC(=O)C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2780.3Semi standard non polar33892256
R-10-Hydroxywarfarin,2TMS,isomer #2CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2746.6Semi standard non polar33892256
R-10-Hydroxywarfarin,2TMS,isomer #2CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2746.6Semi standard non polar33892256
R-10-Hydroxywarfarin,2TMS,isomer #3C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2715.1Semi standard non polar33892256
R-10-Hydroxywarfarin,2TMS,isomer #3C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2715.1Semi standard non polar33892256
R-10-Hydroxywarfarin,2TMS,isomer #4CC(O[Si](C)(C)C)=C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2829.6Semi standard non polar33892256
R-10-Hydroxywarfarin,2TMS,isomer #4CC(O[Si](C)(C)C)=C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2829.6Semi standard non polar33892256
R-10-Hydroxywarfarin,2TMS,isomer #5C=C(O[Si](C)(C)C)C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2772.0Semi standard non polar33892256
R-10-Hydroxywarfarin,2TMS,isomer #5C=C(O[Si](C)(C)C)C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2772.0Semi standard non polar33892256
R-10-Hydroxywarfarin,3TMS,isomer #1CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2807.8Semi standard non polar33892256
R-10-Hydroxywarfarin,3TMS,isomer #1CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2838.7Standard non polar33892256
R-10-Hydroxywarfarin,3TMS,isomer #1CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O3168.9Standard polar33892256
R-10-Hydroxywarfarin,3TMS,isomer #2C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2771.3Semi standard non polar33892256
R-10-Hydroxywarfarin,3TMS,isomer #2C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O2761.4Standard non polar33892256
R-10-Hydroxywarfarin,3TMS,isomer #2C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C)OC2=CC=CC=C2C1=O3217.9Standard polar33892256
R-10-Hydroxywarfarin,1TBDMS,isomer #1CC(=O)C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2960.9Semi standard non polar33892256
R-10-Hydroxywarfarin,1TBDMS,isomer #1CC(=O)C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O2960.9Semi standard non polar33892256
R-10-Hydroxywarfarin,1TBDMS,isomer #2CC(=O)C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3024.0Semi standard non polar33892256
R-10-Hydroxywarfarin,1TBDMS,isomer #2CC(=O)C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3024.0Semi standard non polar33892256
R-10-Hydroxywarfarin,1TBDMS,isomer #3CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O3081.7Semi standard non polar33892256
R-10-Hydroxywarfarin,1TBDMS,isomer #3CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O3081.7Semi standard non polar33892256
R-10-Hydroxywarfarin,1TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)C(O)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O3042.8Semi standard non polar33892256
R-10-Hydroxywarfarin,1TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)C(O)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O3042.8Semi standard non polar33892256
R-10-Hydroxywarfarin,2TBDMS,isomer #1CC(=O)C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3194.8Semi standard non polar33892256
R-10-Hydroxywarfarin,2TBDMS,isomer #1CC(=O)C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3194.8Semi standard non polar33892256
R-10-Hydroxywarfarin,2TBDMS,isomer #2CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O3296.7Semi standard non polar33892256
R-10-Hydroxywarfarin,2TBDMS,isomer #2CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O3296.7Semi standard non polar33892256
R-10-Hydroxywarfarin,2TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O3234.7Semi standard non polar33892256
R-10-Hydroxywarfarin,2TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O)OC2=CC=CC=C2C1=O3234.7Semi standard non polar33892256
R-10-Hydroxywarfarin,2TBDMS,isomer #4CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3330.6Semi standard non polar33892256
R-10-Hydroxywarfarin,2TBDMS,isomer #4CC(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3330.6Semi standard non polar33892256
R-10-Hydroxywarfarin,2TBDMS,isomer #5C=C(O[Si](C)(C)C(C)(C)C)C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3225.4Semi standard non polar33892256
R-10-Hydroxywarfarin,2TBDMS,isomer #5C=C(O[Si](C)(C)C(C)(C)C)C(O)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3225.4Semi standard non polar33892256
R-10-Hydroxywarfarin,3TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3422.4Semi standard non polar33892256
R-10-Hydroxywarfarin,3TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3343.3Standard non polar33892256
R-10-Hydroxywarfarin,3TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3453.0Standard polar33892256
R-10-Hydroxywarfarin,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3355.9Semi standard non polar33892256
R-10-Hydroxywarfarin,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3272.3Standard non polar33892256
R-10-Hydroxywarfarin,3TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=CC=C1)C1=C(O[Si](C)(C)C(C)(C)C)OC2=CC=CC=C2C1=O3479.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - R-10-Hydroxywarfarin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9271000000-1f886583a446a7fa2ffb2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - R-10-Hydroxywarfarin GC-MS (2 TMS) - 70eV, Positivesplash10-00di-2109100000-cad48cd41050ff8617d22017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - R-10-Hydroxywarfarin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - R-10-Hydroxywarfarin 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 - R-10-Hydroxywarfarin 10V, Positive-QTOFsplash10-056r-0039000000-40727664aa4b0d47767c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - R-10-Hydroxywarfarin 20V, Positive-QTOFsplash10-0a6r-2398000000-b3f5a37f99d38aa446a82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - R-10-Hydroxywarfarin 40V, Positive-QTOFsplash10-0fki-1490000000-b9e90c3290da9170c96d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - R-10-Hydroxywarfarin 10V, Negative-QTOFsplash10-00b9-1096000000-dc2b8feef3192983a7c82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - R-10-Hydroxywarfarin 20V, Negative-QTOFsplash10-03mi-2592000000-9c3e3b09898ba190e4422016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - R-10-Hydroxywarfarin 40V, Negative-QTOFsplash10-006x-9680000000-15e7a58769ccc90300ab2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - R-10-Hydroxywarfarin 10V, Positive-QTOFsplash10-08ir-0369000000-634fad365685455d238b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - R-10-Hydroxywarfarin 20V, Positive-QTOFsplash10-03di-2982000000-1c8d6a59f04c4f29c6eb2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - R-10-Hydroxywarfarin 40V, Positive-QTOFsplash10-00di-4930000000-b61c59843cd5836a93522021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - R-10-Hydroxywarfarin 10V, Negative-QTOFsplash10-00di-0249000000-92c22653c203d98317ed2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - R-10-Hydroxywarfarin 20V, Negative-QTOFsplash10-0w90-4591000000-d554abaffdb0059ebaa52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - R-10-Hydroxywarfarin 40V, Negative-QTOFsplash10-00ke-3390000000-9f14da0f94ddf7576f002021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB093389
KNApSAcK IDNot Available
Chemspider ID35032776
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:
SULT2B1
Uniprot ID:
O00204
Molecular weight:
39598.595
Reactions
R-10-Hydroxywarfarin → {[(1R)-1-(2-hydroxy-4-oxo-4H-chromen-3-yl)-3-oxo-1-phenylbutan-2-yl]oxy}sulfonic aciddetails
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
Reactions
R-10-Hydroxywarfarin → 3,4,5-trihydroxy-6-({3-[(1R)-2-hydroxy-3-oxo-1-phenylbutyl]-4-oxo-4H-chromen-2-yl}oxy)oxane-2-carboxylic aciddetails