Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-09-15 17:17:33 UTC
Update Date2021-09-14 15:18:07 UTC
HMDB IDHMDB0010333
Secondary Accession Numbers
  • HMDB0010354
  • HMDB10333
  • HMDB10354
Metabolite Identification
Common NameEstriol-17-glucuronide
DescriptionEstriol-17-glucuronide, also known as estriol 17beta-(beta-D-glucuronide), is a member of the class of compounds known as steroidal glycosides. Steroidal glycosides are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Thus, estriol-17-glucuronide is considered to be a steroid conjugate lipid molecule. Estriol-17-glucuronide can be in urine and blood, as well as in human liver, kidney, and hepatic tissue tissues. Within the cell, estriol-17-glucuronide is primarily located in the cytoplasm, in the membrane (predicted from logP), and in the cell membrane. 16alpha,17beta-Estriol 17-(beta-D-glucuronide) is a natural human metabolite of 16alpha,17beta-estriol 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
(16alpha,17beta)-3,16-Dihydroxyestra-1,3,5(10)-trien-17-yl beta-D-glucopyranosiduronic acidHMDB
(16alpha,17beta)-3,16-Dihydroxyestra-1,3,5(10)-trien-17-yl beta-delta-glucopyranosiduronic acidHMDB
17beta-(beta-D-Glucopyranuronosyloxy)estra-1,3,5(10)-triene-3,16alpha-diolHMDB
17beta-(beta-delta-Glucopyranuronosyloxy) estra-1,3,5(10)-triene-3,16alpha-diolHMDB
17beta-(beta-delta-Glucopyranuronosyloxy)estra-1,3,5(10)-triene-3,16alpha-diolHMDB
3,16alpha-Dihydroxyestra-1,3,5(10)-trien-17beta-yl glucopyranosiduronic acidHMDB
beta-D-Glucopyranosiduronic acid derivative OF estraneHMDB
beta-delta-Glucopyranosiduronic acid derivative OF estraneHMDB
Estriol 17-glucuronideHMDB
Estriol 17beta-(beta-D-glucuronide)HMDB
Estriol 17beta-glucuronideHMDB
Estriol 17beta-monoglucuronideHMDB
16-a,17-b-Estriol 17-b-D-glucuronideHMDB
16-Α,17-β-estriol 17-β-D-glucuronideHMDB
Estriol 17β-(β-D-glucuronide)HMDB
Estriol 17beta-(β-D-glucuronide)HMDB
16Α,17β-estriol 17-(β-D-glucuronide)HMDB
16alpha,17beta-Estriol 17-(beta-D-glucuronide)HMDB
16-alpha,17-beta-Estriol 17-beta-D-glucuronideHMDB
Chemical FormulaC24H32O9
Average Molecular Weight464.511
Monoisotopic Molecular Weight464.20463261
IUPAC Name(2S,3S,4S,5R,6R)-6-{[(1S,10R,11S,13R,14R,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6R)-6-{[(1S,10R,11S,13R,14R,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry Number7219-89-8
SMILES
[H][C@@]12C[C@@H](O)[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
InChI Identifier
InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23+,24+/m1/s1
InChI KeyCZGFLAQOJPXVRV-FLVROIOLSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassSteroidal glycosides
Direct ParentSteroidal glycosides
Alternative Parents
Substituents
  • Steroidal glycoside
  • Estrogen-skeleton
  • 3-hydroxysteroid
  • Estrane-skeleton
  • Hydroxysteroid
  • 16-alpha-hydroxysteroid
  • 16-hydroxysteroid
  • 1-o-glucuronide
  • O-glucuronide
  • Phenanthrene
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • O-glycosyl compound
  • Glycosyl compound
  • Tetralin
  • Beta-hydroxy acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Pyran
  • Oxane
  • Monosaccharide
  • Hydroxy acid
  • Cyclic alcohol
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Acetal
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Organooxygen compound
  • Organic oxygen compound
  • Organic oxide
  • Carbonyl group
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot 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 Solubility1.07 g/LALOGPS
logP1.22ChemAxon
pKa (Strongest Acidic)3.55ChemAxon
pKa (Strongest Basic)-3.2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity113.55 m³·mol⁻¹ChemAxon
Polarizability48.3 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-239.35530932474
DeepCCS[M+Na]+213.41730932474
AllCCS[M+H]+210.032859911
AllCCS[M+H-H2O]+208.232859911
AllCCS[M+NH4]+211.632859911
AllCCS[M+Na]+212.132859911
AllCCS[M-H]-201.932859911
AllCCS[M+Na-2H]-202.932859911
AllCCS[M+HCOO]-204.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Estriol-17-glucuronide[H][C@@]12C[C@@H](O)[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C34362.8Standard polar33892256
Estriol-17-glucuronide[H][C@@]12C[C@@H](O)[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C33972.6Standard non polar33892256
Estriol-17-glucuronide[H][C@@]12C[C@@H](O)[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C34271.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Estriol-17-glucuronide,1TMS,isomer #1C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O3937.2Semi standard non polar33892256
Estriol-17-glucuronide,1TMS,isomer #2C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3940.8Semi standard non polar33892256
Estriol-17-glucuronide,1TMS,isomer #3C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3920.0Semi standard non polar33892256
Estriol-17-glucuronide,1TMS,isomer #4C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3933.8Semi standard non polar33892256
Estriol-17-glucuronide,1TMS,isomer #5C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O3904.9Semi standard non polar33892256
Estriol-17-glucuronide,1TMS,isomer #6C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O3956.8Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #1C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O3912.4Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #10C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3911.1Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #11C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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]1O3840.2Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #12C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3852.7Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #13C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3913.4Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #14C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3858.4Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #15C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O3891.2Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #2C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O3842.7Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #3C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3862.9Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #4C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3838.2Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #5C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3861.0Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #6C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3909.5Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #7C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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]1O3880.0Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #8C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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]1O3867.4Semi standard non polar33892256
Estriol-17-glucuronide,2TMS,isomer #9C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3875.2Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #1C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O3876.2Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #10C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3803.2Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #11C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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]1O3891.3Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #12C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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]1O3896.2Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #13C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3893.1Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #14C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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]1O3830.7Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #15C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3840.5Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #16C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3822.1Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #17C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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]1O3876.1Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #18C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3890.3Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #19C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3823.6Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #2C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3896.0Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #20C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3890.2Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #3C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3895.8Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #4C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3901.8Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #5C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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]1O3838.8Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #6C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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]1O3806.9Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #7C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3827.7Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #8C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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]1O3814.4Semi standard non polar33892256
Estriol-17-glucuronide,3TMS,isomer #9C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3816.2Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #1C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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]1O3879.6Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #10C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3799.4Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #11C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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]1O3873.8Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #12C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3879.2Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #13C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3882.7Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #14C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3819.7Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #15C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3880.3Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #2C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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]1O3863.6Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #3C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3877.6Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #4C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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]1O3879.2Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #5C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3870.7Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #6C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3872.8Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #7C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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]1O3799.7Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #8C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3804.8Semi standard non polar33892256
Estriol-17-glucuronide,4TMS,isomer #9C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3795.0Semi standard non polar33892256
Estriol-17-glucuronide,5TMS,isomer #1C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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]1O3859.9Semi standard non polar33892256
Estriol-17-glucuronide,5TMS,isomer #2C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3858.5Semi standard non polar33892256
Estriol-17-glucuronide,5TMS,isomer #3C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3861.5Semi standard non polar33892256
Estriol-17-glucuronide,5TMS,isomer #4C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3874.2Semi standard non polar33892256
Estriol-17-glucuronide,5TMS,isomer #5C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3804.4Semi standard non polar33892256
Estriol-17-glucuronide,5TMS,isomer #6C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[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)C3869.1Semi standard non polar33892256
Estriol-17-glucuronide,6TMS,isomer #1C[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[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)C3860.4Semi standard non polar33892256
Estriol-17-glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@]2(C)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4167.7Semi standard non polar33892256
Estriol-17-glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@H]1O4170.8Semi standard non polar33892256
Estriol-17-glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@@H]1O4154.4Semi standard non polar33892256
Estriol-17-glucuronide,1TBDMS,isomer #4CC(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]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@@]21C4166.1Semi standard non polar33892256
Estriol-17-glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@@H](O)[C@@H]1O4175.7Semi standard non polar33892256
Estriol-17-glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4205.9Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O4404.8Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4327.5Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4413.3Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@@H]1O[Si](C)(C)C(C)(C)C4320.8Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4350.9Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4408.6Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O[Si](C)(C)C(C)(C)C)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@@H](O)[C@@H]1O4382.6Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@@H](O)[C@@H]1O4341.4Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@H]1O4339.5Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@@H]1O4327.9Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@]2(C)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4345.5Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4360.7Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4402.7Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4338.0Semi standard non polar33892256
Estriol-17-glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4331.5Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3[C@@H]4CCC5=CC(O[Si](C)(C)C(C)(C)C)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@@H](O)[C@@H]1O4598.2Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@@H]1O[Si](C)(C)C(C)(C)C4501.9Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O[Si](C)(C)C(C)(C)C)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4605.3Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4539.3Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4516.4Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O[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]1O4599.4Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O[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)C4603.2Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #16CC(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]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@@H]1O[Si](C)(C)C(C)(C)C4499.0Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O[Si](C)(C)C(C)(C)C)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4598.9Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4503.1Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2O[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)C4593.5Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4615.9Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H]3[C@@H]4CCC5=CC(O[Si](C)(C)C(C)(C)C)=CC=C5[C@H]4CC[C@@]32C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4611.5Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4623.1Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4628.6Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4544.7Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4509.5Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4541.2Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]3[C@@H]4CCC5=CC(O)=CC=C5[C@H]4CC[C@@]32C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4522.3Semi standard non polar33892256
Estriol-17-glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@]2(C)[C@H]1O[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]1O4508.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Estriol-17-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Estriol-17-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 - Estriol-17-glucuronide 10V, Positive-QTOFsplash10-00ks-0090800000-40ebbed6c09f66d322782018-11-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Estriol-17-glucuronide 20V, Positive-QTOFsplash10-0079-0390100000-583e7fea5633812175142018-11-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Estriol-17-glucuronide 40V, Positive-QTOFsplash10-022i-0590000000-ac0dc1bbdde5286b36d42018-11-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Estriol-17-glucuronide 10V, Negative-QTOFsplash10-03di-0000900000-5761e9c280d344cbe1d12021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Estriol-17-glucuronide 20V, Negative-QTOFsplash10-00kr-2391400000-32101bfa4a41b480ecfc2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Estriol-17-glucuronide 40V, Negative-QTOFsplash10-00kr-4290000000-ad36d69ddfc50e9db6022021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Estriol-17-glucuronide 10V, Positive-QTOFsplash10-00rj-0080900000-20b5a9f6cd51b3fec4142021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Estriol-17-glucuronide 20V, Positive-QTOFsplash10-00di-0190200000-69ce9a6bcc77fafb7d432021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Estriol-17-glucuronide 40V, Positive-QTOFsplash10-004i-0941000000-6eb143c59b94907725f62021-09-24Wishart 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 SpecifiedNot SpecifiedNormal
      Not Available
details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
      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 IDFDB027485
KNApSAcK IDNot Available
Chemspider ID4445190
KEGG Compound IDC11346
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound151453
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

Only showing the first 10 proteins. There are 21 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. 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:
UGT1A8
Uniprot ID:
Q9HAW9
Molecular weight:
59741.035
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.
Gene Name:
UGT1A3
Uniprot ID:
P35503
Molecular weight:
60337.835

Only showing the first 10 proteins. There are 21 proteins in total.