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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-09-15 17:24:47 UTC
Update Date2022-03-07 02:50:53 UTC
HMDB IDHMDB0010337
Secondary Accession Numbers
  • HMDB10337
Metabolite Identification
Common Name6-Dehydrotestosterone glucuronide
Description6-Dehydrotestosterone glucuronide is a natural human metabolite of 6-dehydrotestosterone 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?1582752815
Synonyms
ValueSource
6,7-Didehydrotestosterone O-glucuronideChEBI
6-Dehydrotestosterone O-glucuronideChEBI
3-Oxoandrosta-4,6-dien-17beta-yl beta-D-glucopyranosiduronic acidHMDB
3-Oxoandrosta-4,6-dien-17beta-yl beta-delta-glucopyranosiduronic acidHMDB
6-Dehydrotestosterone 17-glucosiduronic acidHMDB
6-Dehydrotestosterone 17-glucosiduronateGenerator
Chemical FormulaC25H34O8
Average Molecular Weight462.5327
Monoisotopic Molecular Weight462.225368064
IUPAC Name(2S,3S,4S,5R,6R)-6-{[(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-6,8-dien-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6R)-6-{[(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-6,8-dien-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C
InChI Identifier
InChI=1S/C25H34O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h3-4,11,14-21,23,27-29H,5-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChI KeyGCIVSXAHMONYLO-HMAFJQTKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassSteroidal glycosides
Direct ParentSteroid glucuronide conjugates
Alternative Parents
Substituents
  • Steroid-glucuronide-skeleton
  • Androgen-skeleton
  • Androstane-skeleton
  • 3-oxosteroid
  • Oxosteroid
  • 1-o-glucuronide
  • O-glucuronide
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Cyclohexenone
  • Beta-hydroxy acid
  • Monosaccharide
  • Pyran
  • Oxane
  • Hydroxy acid
  • Cyclic ketone
  • Secondary alcohol
  • Ketone
  • Polyol
  • Acetal
  • Organoheterocyclic compound
  • Carboxylic acid
  • Carboxylic acid derivative
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Alcohol
  • Organooxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
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 Solubility0.33 g/LALOGPS
logP1.87ALOGPS
logP1.55ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)3.66ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area133.52 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity117.83 m³·mol⁻¹ChemAxon
Polarizability48.8 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
DeepCCS[M-2H]-235.57930932474
DeepCCS[M+Na]+209.4130932474
AllCCS[M+H]+212.332859911
AllCCS[M+H-H2O]+210.532859911
AllCCS[M+NH4]+213.932859911
AllCCS[M+Na]+214.332859911
AllCCS[M-H]-203.032859911
AllCCS[M+Na-2H]-204.132859911
AllCCS[M+HCOO]-205.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
6-Dehydrotestosterone glucuronide[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C4340.6Standard polar33892256
6-Dehydrotestosterone glucuronide[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C3591.2Standard non polar33892256
6-Dehydrotestosterone glucuronide[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C4204.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
6-Dehydrotestosterone glucuronide,1TMS,isomer #1C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3991.4Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,1TMS,isomer #2C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3992.8Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,1TMS,isomer #3C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C4000.9Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,1TMS,isomer #4C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O3945.1Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,1TMS,isomer #5C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O3972.1Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TMS,isomer #1C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3934.4Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TMS,isomer #10C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O3900.7Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TMS,isomer #2C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3949.7Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TMS,isomer #3C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3960.9Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TMS,isomer #4C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3924.0Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TMS,isomer #5C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3919.2Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TMS,isomer #6C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3953.9Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TMS,isomer #7C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3911.8Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TMS,isomer #8C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3932.3Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TMS,isomer #9C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3928.7Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TMS,isomer #1C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[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]1O3904.0Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TMS,isomer #10C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3855.0Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TMS,isomer #2C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3915.3Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TMS,isomer #3C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3864.3Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TMS,isomer #4C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3909.6Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TMS,isomer #5C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3859.6Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TMS,isomer #6C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3879.6Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TMS,isomer #7C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3901.2Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TMS,isomer #8C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3841.2Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TMS,isomer #9C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3864.9Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,4TMS,isomer #1C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[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]1O[Si](C)(C)C3870.5Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,4TMS,isomer #2C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[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]1O3831.3Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,4TMS,isomer #3C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3844.8Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,4TMS,isomer #4C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3839.1Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,4TMS,isomer #5C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3829.3Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,5TMS,isomer #1C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[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]1O[Si](C)(C)C3774.7Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,5TMS,isomer #1C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[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]1O[Si](C)(C)C3919.3Standard non polar33892256
6-Dehydrotestosterone glucuronide,5TMS,isomer #1C[C@]12CC[C@H]3[C@@H](C=CC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@@H]2O[C@@H]1O[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]1O[Si](C)(C)C4545.1Standard polar33892256
6-Dehydrotestosterone glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O)[C@H]1O4257.5Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H]1O4266.1Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1O[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C4271.1Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O)[C@@H](O)[C@@H]1O4239.9Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)C=C[C@H]1[C@@H]3CC[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@@]3(C)CC[C@@H]124181.0Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4469.9Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O)[C@@H](O)[C@@H]1O4397.6Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4472.2Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4461.0Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)C=C[C@H]1[C@@H]3CC[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)[C@@]3(C)CC[C@@H]124348.8Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4462.0Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H]1O[Si](C)(C)C(C)(C)C4466.5Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)C=C[C@H]1[C@@H]3CC[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)[C@@]3(C)CC[C@@H]124339.4Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4469.2Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)C=C[C@H]1[C@@H]3CC[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]124352.1Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4656.2Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4570.3Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4640.5Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4570.6Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H]1O[Si](C)(C)C(C)(C)C4641.0Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)C=C[C@H]1[C@@H]3CC[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]124521.6Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)C=C[C@H]1[C@@H]3CC[C@H](O[C@@H]4O[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]4O)[C@@]3(C)CC[C@@H]124498.6Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4650.1Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4C=CC5=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]5(C)[C@H]4CC[C@]23C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4555.0Semi standard non polar33892256
6-Dehydrotestosterone glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)C=C[C@H]1[C@@H]3CC[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]124505.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 6-Dehydrotestosterone glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-00nn-8475900000-d2a9fb2522c30bcc01b92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Dehydrotestosterone glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-03di-2571029000-e30227184f6518cc38372017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Dehydrotestosterone glucuronide 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 - 6-Dehydrotestosterone glucuronide 10V, Positive-QTOFsplash10-029j-0090600000-9a6513283af87b21bfa42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Dehydrotestosterone glucuronide 20V, Positive-QTOFsplash10-00kr-0290000000-c870e8a6d429727f30372017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Dehydrotestosterone glucuronide 40V, Positive-QTOFsplash10-014r-0490000000-b401337f15bf74b13c822017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Dehydrotestosterone glucuronide 10V, Negative-QTOFsplash10-03y0-1160900000-971a1dd5e3215654bcbe2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Dehydrotestosterone glucuronide 20V, Negative-QTOFsplash10-000i-1290200000-f9929913b33a733dc8422017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Dehydrotestosterone glucuronide 40V, Negative-QTOFsplash10-052r-3090000000-634b272be216e3adefea2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Dehydrotestosterone glucuronide 10V, Negative-QTOFsplash10-03di-0000900000-767f8320cdcc1ea283292021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Dehydrotestosterone glucuronide 20V, Negative-QTOFsplash10-0550-9441300000-e0ab23e000185b9e98182021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Dehydrotestosterone glucuronide 40V, Negative-QTOFsplash10-0avj-8091000000-0f9a83413da1b0688cc72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Dehydrotestosterone glucuronide 10V, Positive-QTOFsplash10-014r-0190600000-cd0edf11a027f5c11bf42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Dehydrotestosterone glucuronide 20V, Positive-QTOFsplash10-02t9-0982200000-a8402fd42a53c27b04002021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Dehydrotestosterone glucuronide 40V, Positive-QTOFsplash10-02ti-1941000000-39dfcf5ab8dd1a410dd42021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • 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 IDFDB027489
KNApSAcK IDC00001511
Chemspider ID4574282
KEGG Compound IDC00178
BioCyc IDNot Available
BiGG ID34151
Wikipedia LinkThymine
METLIN ID290
PubChem Compound1135
PDB IDNot Available
ChEBI ID32709
Food Biomarker OntologyNot Available
VMH IDTHYM
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.