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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-09-15 16:06:56 UTC
Update Date2021-09-14 15:18:56 UTC
HMDB IDHMDB0010315
Secondary Accession Numbers
  • HMDB10315
Metabolite Identification
Common Name4-Hydroxyandrostenedione glucuronide
Description4-Hydroxyandrostenedione glucuronide is a natural human metabolite of 4-Hydroxyandrostenedione generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
Structure
Data?1582752813
Synonyms
ValueSource
4,4-Dimechol-8,14,24-trienolChEBI
4,4-Dimethylcholesta-8(9),14,24-trien-3beta-olChEBI
4,4-Dimethylcholesta-8(9),14,24-trien-3b-olGenerator
4,4-Dimethylcholesta-8(9),14,24-trien-3β-olGenerator
(3beta,5alpha)-4,4-Dimethyl-cholesta-8,14,24-trien-3-olHMDB
(3beta,5alpha)-4,4-Dimethylcholesta-8,14,24-trien-3-olHMDB
4,4'-Dimethyl cholesta-8,14,24-triene-3-beta-olHMDB
4,4-Dimethyl-5-alpha-cholesta-8,14,24-trien-3-beta-olHMDB
4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3-olHMDB
4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-olHMDB
4,4-Dimethyl-cholesta-8,14,24-trienolHMDB
FF-MASHMDB
Follicular fluid meiosis activating sterolHMDB
4-HADGMeSH, HMDB
4-Hydroxy-4-androstene-3,17-dione glucuronideMeSH, HMDB
4-Hydroxyandrost-4-ene-3,17-dione glucuronideMeSH, HMDB
(2S,3S,4S,5R,6S)-6-{[(2R,15S)-2,15-dimethyl-5,14-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateGenerator
HAD-glucuronideMeSH
4-Hydroxyandrostenedione glucuronideMeSH
Chemical FormulaC25H34O9
Average Molecular Weight478.5321
Monoisotopic Molecular Weight478.220282686
IUPAC Name(2S,3S,4S,5R,6S)-6-{[(2R,15S)-2,15-dimethyl-5,14-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6S)-6-{[(2R,15S)-2,15-dimethyl-5,14-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(=O)CC[C@]34C)C1CCC2=O
InChI Identifier
InChI=1S/C25H34O9/c1-24-10-8-15(26)20(33-23-19(30)17(28)18(29)21(34-23)22(31)32)14(24)4-3-11-12-5-6-16(27)25(12,2)9-7-13(11)24/h11-13,17-19,21,23,28-30H,3-10H2,1-2H3,(H,31,32)/t11?,12?,13?,17-,18-,19+,21-,23+,24+,25-/m0/s1
InChI KeyJIKFCHILHFFTSH-NRIFOQJISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassCholestane steroids
Direct ParentCholesterols and derivatives
Alternative Parents
Substituents
  • Cholesterol-skeleton
  • 3-beta-hydroxysteroid
  • Hydroxysteroid
  • 3-hydroxysteroid
  • Cyclic alcohol
  • Secondary alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.65 g/LALOGPS
logP1.49ALOGPS
logP1.43ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)3.5ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area150.59 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity117.86 m³·mol⁻¹ChemAxon
Polarizability49.36 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+209.13431661259
DarkChem[M-H]-200.36931661259
DeepCCS[M-2H]-244.44830932474
DeepCCS[M+Na]+218.63530932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
4-Hydroxyandrostenedione glucuronideC[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(=O)CC[C@]34C)C1CCC2=O3888.9Standard polar33892256
4-Hydroxyandrostenedione glucuronideC[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(=O)CC[C@]34C)C1CCC2=O3614.3Standard non polar33892256
4-Hydroxyandrostenedione glucuronideC[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(=O)CC[C@]34C)C1CCC2=O4203.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
4-Hydroxyandrostenedione glucuronide,1TMS,isomer #1C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)C1CCC2=O3994.0Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,1TMS,isomer #2C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C(=O)CC[C@@]43C)C1CCC2=O4024.3Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,1TMS,isomer #3C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CCC2=O4014.7Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,1TMS,isomer #4C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)C1CCC2=O3965.2Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,1TMS,isomer #5C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3959.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,1TMS,isomer #6C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3869.7Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #1C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)C1CCC2=O3957.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #10C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CCC2=O3968.7Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #11C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3932.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #12C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3821.7Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #13C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3891.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #14C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3802.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #15C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3800.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #2C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C(=O)CC[C@@]43C)C1CCC2=O3996.6Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #3C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CCC2=O4000.6Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #4C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3925.3Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #5C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3815.4Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #6C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C(=O)CC[C@@]43C)C1CCC2=O3987.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #7C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CCC2=O4008.0Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #8C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3950.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TMS,isomer #9C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3842.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #1C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C(=O)CC[C@@]43C)C1CCC2=O3966.2Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #10C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3746.9Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #11C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CCC2=O3990.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #12C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3886.0Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #13C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3768.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #14C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3928.9Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #15C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3802.6Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #16C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3757.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #17C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3885.7Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #18C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3765.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #19C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3750.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #2C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CCC2=O3970.1Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #20C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3709.4Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #3C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3881.4Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #4C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3763.3Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #5C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CCC2=O3976.7Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #6C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3909.6Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #7C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3785.3Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #8C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3916.3Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TMS,isomer #9C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3793.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #1C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CCC2=O3966.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #10C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3726.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #11C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3912.9Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #12C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3776.9Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #13C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3697.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #14C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3732.7Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #15C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3709.7Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #2C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3886.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #3C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3757.9Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #4C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3887.1Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #5C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3760.6Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #6C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3706.7Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #7C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3905.1Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #8C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3786.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,4TMS,isomer #9C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3720.3Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #1C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3879.3Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #1C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O3980.3Standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #1C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CCC2=O4470.3Standard polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #2C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3754.9Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #2C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C3848.1Standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #2C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(=O)CC[C@@]43C)C1CC=C2O[Si](C)(C)C4367.7Standard polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #3C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3705.4Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #3C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3863.0Standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #3C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C4533.3Standard polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #4C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3700.7Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #4C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3880.6Standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #4C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C4522.1Standard polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #5C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3710.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #5C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3855.4Standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #5C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C4527.5Standard polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #6C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3716.4Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #6C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C3863.9Standard non polar33892256
4-Hydroxyandrostenedione glucuronide,5TMS,isomer #6C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)C(O[Si](C)(C)C)=CC[C@@]43C)C1CC=C2O[Si](C)(C)C4533.2Standard polar33892256
4-Hydroxyandrostenedione glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O)[C@H]1O4217.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)O[C@H](C(=O)O)[C@H]1O4258.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O4240.9Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O)[C@@H](O)[C@@H]1O4220.4Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)CCC1C3CCC(=O)[C@@]3(C)CCC124165.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CCC2C3CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)CC[C@]4(C)C3CC[C@]12C4078.2Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4408.7Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4422.0Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CCC2C3CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)C(=O)CC[C@]4(C)C3CC[C@]12C4245.2Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)CCC1C3CCC(=O)[C@@]3(C)CCC124346.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CC=C(O[Si](C)(C)C(C)(C)C)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O)[C@@H](O)[C@@H]1O4239.9Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O4317.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)CCC1C3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC124212.2Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4422.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4416.1Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CCC2C3CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]5O)C(=O)CC[C@]4(C)C3CC[C@]12C4230.8Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)CCC1C3CCC(=O)[C@@]3(C)CCC124333.1Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C4431.6Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4442.0Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CCC2C3CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)C(=O)CC[C@]4(C)C3CC[C@]12C4258.1Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)CCC1C3CCC(=O)[C@@]3(C)CCC124357.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4599.9Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)CCC1C3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC124366.4Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4626.1Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CCC2C3CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]5O[Si](C)(C)C(C)(C)C)C(=O)CC[C@]4(C)C3CC[C@]12C4425.3Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)CCC1C3CCC(=O)[C@@]3(C)CCC124539.4Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CC=C(O[Si](C)(C)C(C)(C)C)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4419.1Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4518.4Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)CCC1C3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC124373.0Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CC=C(O[Si](C)(C)C(C)(C)C)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4418.2Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4519.6Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)CCC1C3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC124376.2Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4598.4Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CC=C(O[Si](C)(C)C(C)(C)C)[C@@]5(C)CCC4[C@@]3(C)CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O4349.6Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CC=C(O[Si](C)(C)C(C)(C)C)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4408.3Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CC=C2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4506.6Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=C3CCC4C5CCC(=O)[C@@]5(C)CCC4[C@@]3(C)CCC2=O)O[C@H](C(=O)O)[C@H]1O[Si](C)(C)C(C)(C)C4604.6Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CCC2C3CCC4=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)C(=O)CC[C@]4(C)C3CC[C@]12C4415.5Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)CCC1C3CCC(=O)[C@@]3(C)CCC124526.3Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CCC2C3CCC4=C(O[C@@H]5O[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]5O)C(=O)CC[C@]4(C)C3CC[C@]12C4401.9Semi standard non polar33892256
4-Hydroxyandrostenedione glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1O[C@@H]1O[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]1O)CCC1C3CCC(=O)[C@@]3(C)CCC124518.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 4-Hydroxyandrostenedione glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0itj-6234900000-7e9858fdc1726a19bad02017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Hydroxyandrostenedione glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-0fir-2142109000-48e8cacf241f444628b62017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Hydroxyandrostenedione glucuronide GC-MS (TMS_4_7) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Hydroxyandrostenedione glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Hydroxyandrostenedione glucuronide GC-MS ("4-Hydroxyandrostenedione glucuronide,4TMS,#7" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 10V, Positive-QTOFsplash10-0w4i-0136900000-b454e0057f9380acfb082016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 20V, Positive-QTOFsplash10-0udi-0397100000-a93583b843d6c900a8012016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 40V, Positive-QTOFsplash10-0f79-0591000000-d3e2020ce54eb4342b4f2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 10V, Negative-QTOFsplash10-0fb9-2304900000-cf3ed832460033c45def2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 20V, Negative-QTOFsplash10-0udi-2229300000-9fae58d21ba4da933ffc2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 40V, Negative-QTOFsplash10-0udi-9378000000-aa0c323a7afabf3e474a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 10V, Negative-QTOFsplash10-004i-0000900000-9f04d6d38373540b05722021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 20V, Negative-QTOFsplash10-004j-6901300000-5bbe4724ad15db1be2282021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 40V, Negative-QTOFsplash10-0a4i-9232100000-7734723780a52b36f8ec2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 10V, Positive-QTOFsplash10-0h00-0123900000-5437939567b3bf78f5c22021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 20V, Positive-QTOFsplash10-01p9-2474900000-ba3615c42b83160f26972021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Hydroxyandrostenedione glucuronide 40V, Positive-QTOFsplash10-016r-1915000000-8def64b1a8db201989d52021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022376
KNApSAcK IDNot Available
Chemspider ID391478
KEGG Compound IDC11455
BioCyc IDNot Available
BiGG ID1454719
Wikipedia LinkNot Available
METLIN ID5952
PubChem Compound443212
PDB IDNot Available
ChEBI ID17813
Food Biomarker OntologyNot Available
VMH ID44MCTR
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Only showing the first 10 proteins. There are 19 proteins in total.

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 has glucuronidating capacity with steroid substrates such as 5-beta-androstane 3-alpha,17-beta-diol, estradiol, ADT, eugenol and bile acids. Only isoform 1 seems to be active.
Gene Name:
UGT2B28
Uniprot ID:
Q9BY64
Molecular weight:
38742.9
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.
Gene Name:
UGT2B10
Uniprot ID:
P36537
Molecular weight:
60773.485
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:
UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme displays activity toward several classes of xenobiotic substrates, including simple phenolic compounds, 7-hydroxylated coumarins, flavonoids, anthraquinones, and certain drugs and their hydroxylated metabolites. It also catalyzes the glucuronidation of endogenous estrogens and androgens.
Gene Name:
UGT2B15
Uniprot ID:
P54855
Molecular weight:
61035.815
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDP-glucuronosyltransferases catalyze phase II biotransformation reactions in which lipophilic substrates are conjugated with glucuronic acid to increase water solubility and enhance excretion. They are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Active on odorants and seems to be involved in olfaction; it could help clear lipophilic odorant molecules from the sensory epithelium.
Gene Name:
UGT2A1
Uniprot ID:
Q9Y4X1
Molecular weight:
60771.605
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.
Gene Name:
UGT1A3
Uniprot ID:
P35503
Molecular weight:
60337.835

Only showing the first 10 proteins. There are 19 proteins in total.