NP-MRD: Showing NP-Card for Pregnanediol-3-glucuronide (NP0090874)

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Record Information

Version

2.0

Created at

2022-05-11 18:24:47 UTC

Updated at

2022-05-11 18:24:47 UTC

NP-MRD ID

NP0090874

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Pregnanediol-3-glucuronide

Description

Pregnanediol 3-O-glucuronide 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. Pregnanediol 3-O-glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652311181917142D          

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 33  2  1  1  0  0  0
M  END

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M  END


  Mrv1652311181917142D          

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10002.837010000.8016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10002.8370 9999.9767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.6216 9999.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.106510000.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.621610001.0567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10003.621610001.8817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10004.335210002.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.905910002.2921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.335210001.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 19 20  1  0  0  0  0
  4 19  1  0  0  0  0
 19 11  1  6  0  0  0
 15  5  1  1  0  0  0
 16 10  1  6  0  0  0
 17  9  1  1  0  0  0
 18  8  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23  4  1  6  0  0  0
 24 26  1  0  0  0  0
 26 12  1  1  0  0  0
 21 25  1  0  0  0  0
 25  1  1  1  0  0  0
 31 25  1  0  0  0  0
 31 14  1  6  0  0  0
 28 32  1  0  0  0  0
 32 13  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
 37 41  1  6  0  0  0
 38 39  1  0  0  0  0
 38 40  1  1  0  0  0
 37 33  1  0  0  0  0
 37 36  1  0  0  0  0
 32 34  1  0  0  0  0
 34  3  1  6  0  0  0
 29 33  1  0  0  0  0
 33  2  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0090874

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)O

> <INCHI_IDENTIFIER>
InChI=1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)/t13-,14+,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1

> <INCHI_KEY>
ZFFFJLDTCLJDHL-JQYCEVDMSA-N

> <FORMULA>
C27H44O8

> <MOLECULAR_WEIGHT>
496.6335

> <EXACT_MASS>
496.303618384

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
54.33935721846607

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7R,10R,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
2.35

> <JCHEM_LOGP>
2.328876024666667

> <ALOGPS_LOGS>
-3.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.227618832093905

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4672574569254513

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0473394255542114

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
126.21549999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7R,10R,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 18-NOV-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-NOV-19         0                                  
HETATM    1  C   UNK     0    8667.9668667.383   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8671.9588669.713   0.000  0.00  0.00           C+0
HETATM    3  H   UNK     0    8671.9588665.079   0.000  0.00  0.00           H+0
HETATM    4  O   UNK     0    8663.9748663.524   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    8661.3078668.145   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0    8659.9738668.912   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8662.6418668.912   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8661.3078661.984   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8658.6368663.524   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8658.6368666.604   0.000  0.00  0.00           O+0
HETATM   11  H   UNK     0    8662.6418662.752   0.000  0.00  0.00           H+0
HETATM   12  H   UNK     0    8667.9668662.752   0.000  0.00  0.00           H+0
HETATM   13  H   UNK     0    8670.6268667.383   0.000  0.00  0.00           H+0
HETATM   14  H   UNK     0    8669.2988665.079   0.000  0.00  0.00           H+0
HETATM   15  C   UNK     0    8661.3068666.602   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8659.9728665.832   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8659.9728664.292   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8661.3068663.522   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8662.6408664.292   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0    8662.6408665.832   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0    8666.6378666.607   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8665.3038665.837   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8665.3038664.297   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8666.6378663.527   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8667.9658665.837   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8667.9658664.297   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8669.2988663.527   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8670.6328664.297   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8670.6298668.933   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8669.2958668.163   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8669.2958666.623   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0    8670.6298665.853   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0    8671.9628668.163   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0    8671.9628666.623   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0    8673.4278666.147   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0    8674.3328667.393   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0    8673.4278668.639   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0    8673.4278670.179   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0    8674.7598670.945   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0    8672.0918670.945   0.000  0.00  0.00           O+0
HETATM   41  H   UNK     0    8674.7598669.405   0.000  0.00  0.00           H+0
CONECT    1   25                                                            
CONECT    2   33                                                            
CONECT    3   34                                                            
CONECT    4   19   23                                                       
CONECT    5    6    7   15                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8   18                                                            
CONECT    9   17                                                            
CONECT   10   16                                                            
CONECT   11   19                                                            
CONECT   12   26                                                            
CONECT   13   32                                                            
CONECT   14   31                                                            
CONECT   15   16   20    5                                                  
CONECT   16   15   17   10                                                  
CONECT   17   16   18    9                                                  
CONECT   18   17   19    8                                                  
CONECT   19   18   20    4   11                                             
CONECT   20   15   19                                                       
CONECT   21   22   25                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24    4                                                  
CONECT   24   23   26                                                       
CONECT   25   26   21    1   31                                             
CONECT   26   25   27   24   12                                             
CONECT   27   26   28                                                       
CONECT   28   27   32                                                       
CONECT   29   30   33                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   25   14                                             
CONECT   32   31   28   13   34                                             
CONECT   33   34   37   29    2                                             
CONECT   34   33   35   32    3                                             
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   38   41   33   36                                             
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   37                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

View in JSmol

Synonyms

Value	Source
5 beta-Pregnane-3 alpha, 20 alpha-diol-3 alpha-glucuronide	HMDB
Pregnanediol-3 alpha-glucuronide, (3alpha,5alpha,20S)-isomer	HMDB
20 alpha-Hydroxy-5 beta-pregnan-3 alpha-yl-beta-D-glucopyranosiduronic acid	HMDB
Pregnanediol-3 alpha-glucuronide	HMDB
(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-{[(1S,2S,5R,7R,10R,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}oxane-2-carboxylate	HMDB
Pregnanediol-3-glucuronide	HMDB
(3alpha,5beta,20S)-20-Hydroxypregnan-3-yl beta-D-glucopyranosiduronic acid	HMDB
(3Α,5β,20S)-20-hydroxypregnan-3-yl β-D-glucopyranosiduronic acid	HMDB
5beta-Pregnane-3alpha,20alpha-diol glucuronide	HMDB
5Β-pregnane-3α,20α-diol glucuronide	HMDB
Pregnanediol 3-glucuronide	HMDB
Pregnanediol 3alpha-monoglucuronide	HMDB
Pregnanediol 3α-monoglucuronide	HMDB
Pregnanediol-3alpha-glucuronide	HMDB
Pregnanediol-3alpha-glucuronoside	HMDB
Pregnanediol-3α-glucuronide	HMDB
Pregnanediol-3α-glucuronoside	HMDB
Pregnanediol 3-O-glucuronide	HMDB

Chemical Formula

C₂₇H₄₄O₈

Average Mass

496.6335 Da

Monoisotopic Mass

496.30362 Da

IUPAC Name

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7R,10R,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}oxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7R,10R,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}oxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)O

InChI Identifier

InChI=1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)/t13-,14+,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1

InChI Key

ZFFFJLDTCLJDHL-JQYCEVDMSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

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.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Steroid glucuronide conjugates

Alternative Parents

Substituents

Steroid-glucuronide-skeleton
20-hydroxysteroid
Pregnane-skeleton
Hydroxysteroid
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Glycosyl compound
O-glycosyl compound
Beta-hydroxy acid
Pyran
Oxane
Hydroxy acid
Monosaccharide
Secondary alcohol
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Carboxylic acid
Acetal
Oxacycle
Monocarboxylic acid or derivatives
Carbonyl group
Organooxygen compound
Organic oxygen compound
Organic oxide
Alcohol
Hydrocarbon derivative
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.35	ALOGPS
logP	2.33	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	3.47	ChemAxon
pKa (Strongest Basic)	-1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	136.68 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	126.22 m³·mol⁻¹	ChemAxon
Polarizability	54.34 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0010318

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB027470

KNApSAcK ID

Not Available

Chemspider ID

110346

KEGG Compound ID

C03033

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

123796

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Pregnanediol-3-glucuronide (NP0090874)

MOL for NP0090874 (Pregnanediol-3-glucuronide)

3D MOL for NP0090874 (Pregnanediol-3-glucuronide)

3D SDF for NP0090874 (Pregnanediol-3-glucuronide)

3D-SDF for NP0090874 (Pregnanediol-3-glucuronide)

PDB for NP0090874 (Pregnanediol-3-glucuronide)

3D PDB for NP0090874 (Pregnanediol-3-glucuronide)

SMILES for NP0090874 (Pregnanediol-3-glucuronide)

INCHI for NP0090874 (Pregnanediol-3-glucuronide)

Structure for NP0090874 (Pregnanediol-3-glucuronide)

3D Structure for NP0090874 (Pregnanediol-3-glucuronide)