NP-MRD: Showing NP-Card for 3a,7b,21-Trihydroxy-5b-cholanoic acid (NP0339208)

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Record Information

Version

2.0

Created at

2024-09-11 20:25:11 UTC

Updated at

2024-09-11 20:25:11 UTC

NP-MRD ID

NP0339208

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3a,7b,21-Trihydroxy-5b-cholanoic acid

Description

3A,7b,21-Trihydroxy-5b-cholanoic acid, also known as 21-hydroxyisocholate or lagocholate, belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an nterohepatic circuit. 3A,7b,21-Trihydroxy-5b-cholanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are steroid acids found predominantly in bile of mammals. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. It was first documented in 2000 (PMID: 11413487). 3A,7b,21-Trihydroxy-5b-cholanoic acid is a bile acid (PMID: 11316487) (PMID: 16037564) (PMID: 12576301) (PMID: 11907135).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02251208182D          

 30 33  0  0  1  0            999 V2000
   10.9027  -10.6803    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9027  -11.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1882  -10.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1882  -11.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4738  -10.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4738  -11.5053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3317  -10.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3317  -11.5053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6172  -10.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6172  -11.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0462   -9.4428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0462  -10.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3317   -9.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6172   -9.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8308   -9.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3157   -9.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8310  -10.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0858   -8.4032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8928   -8.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5338   -7.7901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4448   -8.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2518   -8.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8038   -9.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6108   -9.1149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5488  -10.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9027   -9.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1325   -8.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7593  -11.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0462  -11.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1477   -7.4471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
 10  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  1  1  0  0  0  0
 13 11  1  0  0  0  0
  7 12  1  0  0  0  0
 14 13  1  0  0  0  0
  9  7  1  0  0  0  0
  9 14  1  0  0  0  0
 15 11  1  0  0  0  0
 12 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 18 20  1  6  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
  1 26  1  1  0  0  0
 11 27  1  1  0  0  0
  6 28  1  6  0  0  0
  8 29  1  1  0  0  0
 30 19  1  0  0  0  0
M  END


  Mrv0541 02251208182D          

 30 33  0  0  1  0            999 V2000
   10.9027  -10.6803    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9027  -11.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1882  -10.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1882  -11.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4738  -10.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4738  -11.5053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3317  -10.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3317  -11.5053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6172  -10.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6172  -11.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0462   -9.4428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0462  -10.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3317   -9.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6172   -9.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8308   -9.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3157   -9.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8310  -10.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0858   -8.4032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8928   -8.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5338   -7.7901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4448   -8.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2518   -8.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8038   -9.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6108   -9.1149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5488  -10.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9027   -9.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1325   -8.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7593  -11.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0462  -11.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1477   -7.4471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
 10  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  1  1  0  0  0  0
 13 11  1  0  0  0  0
  7 12  1  0  0  0  0
 14 13  1  0  0  0  0
  9  7  1  0  0  0  0
  9 14  1  0  0  0  0
 15 11  1  0  0  0  0
 12 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 18 20  1  6  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
  1 26  1  1  0  0  0
 11 27  1  1  0  0  0
  6 28  1  6  0  0  0
  8 29  1  1  0  0  0
 30 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0339208

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@]12CCC3C(C1CCC2[C@H](O)C(O)CCC(O)=O)[C@@H](O)CC1C[C@H](O)CC[C@]31C

> <INCHI_IDENTIFIER>
InChI=1S/C24H40O6/c1-23-9-7-14(25)11-13(23)12-19(27)21-15-3-4-17(24(15,2)10-8-16(21)23)22(30)18(26)5-6-20(28)29/h13-19,21-22,25-27,30H,3-12H2,1-2H3,(H,28,29)/t13?,14-,15?,16?,17?,18?,19+,21?,22+,23+,24+/m1/s1

> <INCHI_KEY>
JHBLUEHIRYMJOU-ZSFPCQDKSA-N

> <FORMULA>
C24H40O6

> <MOLECULAR_WEIGHT>
424.5708

> <EXACT_MASS>
424.282489012

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
48.454018318654036

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5S)-5-[(2S,5R,9S,15S)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-4,5-dihydroxypentanoic acid

> <ALOGPS_LOGP>
1.46

> <JCHEM_LOGP>
1.487186688333334

> <ALOGPS_LOGS>
-3.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.758469873692757

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.479001653073449

> <JCHEM_PKA_STRONGEST_BASIC>
-0.535664089178311

> <JCHEM_POLAR_SURFACE_AREA>
118.22000000000001

> <JCHEM_REFRACTIVITY>
112.28019999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.28e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5S)-5-[(2S,5R,9S,15S)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-4,5-dihydroxypentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-FEB-12         0                                  
HETATM    1  C   UNK     0      20.352 -19.937   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.352 -21.477   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      19.018 -19.167   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      19.018 -22.247   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.684 -19.937   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.684 -21.477   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      23.019 -19.937   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      23.019 -21.477   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      21.685 -19.167   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      21.685 -22.247   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      24.353 -17.627   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      24.353 -19.167   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      23.019 -16.857   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      21.685 -17.627   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      25.817 -17.151   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      26.723 -18.397   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      25.818 -19.642   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      26.293 -15.686   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      27.800 -15.366   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      25.263 -14.542   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      28.830 -16.510   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      30.337 -16.190   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      31.367 -17.335   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      32.873 -17.014   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      30.891 -18.799   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      20.352 -18.397   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      24.514 -16.095   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      16.351 -22.247   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      24.353 -22.247   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      28.276 -13.901   0.000  0.00  0.00           O+0
CONECT    1    3    9    2   26                                             
CONECT    2    4   10    1                                                  
CONECT    3    1    5                                                       
CONECT    4    2    6                                                       
CONECT    5    3    6                                                       
CONECT    6    4    5   28                                                  
CONECT    7    8   12    9                                                  
CONECT    8    7   10   29                                                  
CONECT    9    1    7   14                                                  
CONECT   10    8    2                                                       
CONECT   11   13   15   12   27                                             
CONECT   12    7   11   17                                                  
CONECT   13   11   14                                                       
CONECT   14   13    9                                                       
CONECT   15   11   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   12   16                                                       
CONECT   18   15   19   20                                                  
CONECT   19   18   21   30                                                  
CONECT   20   18                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26    1                                                            
CONECT   27   11                                                            
CONECT   28    6                                                            
CONECT   29    8                                                            
CONECT   30   19                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   66    0
END

View in JSmol

Synonyms

Value	Source
3a,7b,21-Trihydroxy-5b-cholanoate	Generator
21-Hydroxyisocholate	HMDB
21-Hydroxyisocholic acid	HMDB
3a,7a,21-Trihydroxy-5b-cholanate	HMDB
3a,7a,21-Trihydroxy-5b-cholanic acid	HMDB
3a,7a,21-Trihydroxy-5b-cholanoate	HMDB
3a,7a,21-Trihydroxy-5b-cholanoic acid	HMDB
Lagocholate	HMDB
Lagocholic acid	HMDB
(5S)-5-[(2S,5R,9S,15S)-5,9-Dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-4,5-dihydroxypentanoate	Generator

Chemical Formula

C₂₄H₄₀O₆

Average Mass

424.5708 Da

Monoisotopic Mass

424.28249 Da

IUPAC Name

(5S)-5-[(2S,5R,9S,15S)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-4,5-dihydroxypentanoic acid

Traditional Name

(5S)-5-[(2S,5R,9S,15S)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-4,5-dihydroxypentanoic acid

CAS Registry Number

Not Available

SMILES

C[C@]12CCC3C(C1CCC2[C@H](O)C(O)CCC(O)=O)[C@@H](O)CC1C[C@H](O)CC[C@]31C

InChI Identifier

InChI=1S/C24H40O6/c1-23-9-7-14(25)11-13(23)12-19(27)21-15-3-4-17(24(15,2)10-8-16(21)23)22(30)18(26)5-6-20(28)29/h13-19,21-22,25-27,30H,3-12H2,1-2H3,(H,28,29)/t13?,14-,15?,16?,17?,18?,19+,21?,22+,23+,24+/m1/s1

InChI Key

JHBLUEHIRYMJOU-ZSFPCQDKSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Androstane steroids

Direct Parent

Androgens and derivatives

Alternative Parents

Substituents

20-hydroxysteroid
Androgen-skeleton
3-hydroxysteroid
7-hydroxysteroid
7-alpha-hydroxysteroid
3-alpha-hydroxysteroid
Hydroxysteroid
Medium-chain hydroxy acid
Medium-chain fatty acid
Hydroxy fatty acid
Fatty acyl
Fatty acid
Cyclic alcohol
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Alcohol
Organic oxygen compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	1.46	ALOGPS
logP	1.49	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	4.48	ChemAxon
pKa (Strongest Basic)	-0.54	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	118.22 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	112.28 m³·mol⁻¹	ChemAxon
Polarizability	48.45 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0013192

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB029325

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53481646

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

St-Pierre MV, Kullak-Ublick GA, Hagenbuch B, Meier PJ: Transport of bile acids in hepatic and non-hepatic tissues. J Exp Biol. 2001 May;204(Pt 10):1673-86. [PubMed:11316487 ]
Claudel T, Staels B, Kuipers F: The Farnesoid X receptor: a molecular link between bile acid and lipid and glucose metabolism. Arterioscler Thromb Vasc Biol. 2005 Oct;25(10):2020-30. Epub 2005 Jul 21. [PubMed:16037564 ]
Chiang JY: Bile acid regulation of hepatic physiology: III. Bile acids and nuclear receptors. Am J Physiol Gastrointest Liver Physiol. 2003 Mar;284(3):G349-56. [PubMed:12576301 ]
Davis RA, Miyake JH, Hui TY, Spann NJ: Regulation of cholesterol-7alpha-hydroxylase: BAREly missing a SHP. J Lipid Res. 2002 Apr;43(4):533-43. [PubMed:11907135 ]
Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]

Showing NP-Card for 3a,7b,21-Trihydroxy-5b-cholanoic acid (NP0339208)

MOL for NP0339208 (3a,7b,21-Trihydroxy-5b-cholanoic acid)

3D MOL for NP0339208 (3a,7b,21-Trihydroxy-5b-cholanoic acid)

3D SDF for NP0339208 (3a,7b,21-Trihydroxy-5b-cholanoic acid)

3D-SDF for NP0339208 (3a,7b,21-Trihydroxy-5b-cholanoic acid)

PDB for NP0339208 (3a,7b,21-Trihydroxy-5b-cholanoic acid)

3D PDB for NP0339208 (3a,7b,21-Trihydroxy-5b-cholanoic acid)

SMILES for NP0339208 (3a,7b,21-Trihydroxy-5b-cholanoic acid)

INCHI for NP0339208 (3a,7b,21-Trihydroxy-5b-cholanoic acid)

Structure for NP0339208 (3a,7b,21-Trihydroxy-5b-cholanoic acid)

3D Structure for NP0339208 (3a,7b,21-Trihydroxy-5b-cholanoic acid)