NP-MRD: Showing NP-Card for 3alpha,7alpha-Dihydroxycoprostanic acid (NP0136754)

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Record Information

Version

2.0

Created at

2022-05-12 15:22:44 UTC

Updated at

2022-05-12 15:22:44 UTC

NP-MRD ID

NP0136754

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3alpha,7alpha-Dihydroxycoprostanic acid

Description

3Alpha,7alpha-Dihydroxycoprostanic acid, also known as 3alpha,7alpha-dihydroxy-5beta-cholestanate or 3α,7α-dihydroxy-5β-cholestanate, belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. Dihydroxy bile acids, alcohols and derivatives are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. 3Alpha,7alpha-Dihydroxycoprostanic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 3Alpha,7alpha-Dihydroxycoprostanic acid, with regard to humans, has been found to be associated with the diseases such as inflammatory bowel disease; 3alpha,7alpha-dihydroxycoprostanic acid has also been linked to the inborn metabolic disorder refsum's disease. 3α,7α-Dihydroxycoprostanic acid is a bile acid excreted in small amounts in the urine of healthy subjects (PMID: 864325 ). Bile acids are steroid acids found predominantly in the bile of mammals. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.G. Membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. They exist as anions at physiological pH, and consequently require a carrier for transport across the membranes of the enterohepatic tissues. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine, and portal vein to form an enterohepatic circuit. 3α,7α-Dihydroxycoprostanic acid is the precursor to chenodeoxycholic acid, a bile acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

  Mrv1652304202019412D          

 36 39  0  0  1  0            999 V2000
    5.1383   -4.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8526   -5.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5672   -4.9052    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 31 33  1  0  0  0  0
 33 32  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  6  0  0  0
M  END

     RDKit          3D

 77 80  0  0  0  0  0  0  0  0999 V2000
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M  END

  Mrv1652304202019412D          

 36 39  0  0  1  0            999 V2000
    5.1383   -4.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1383   -4.9052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.3531   -2.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3531   -1.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0676   -0.5253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0676   -1.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7821   -1.7628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4952   -2.5878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2097   -2.1753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  2 23  1  6  0  0  0
  2  4  1  0  0  0  0
  6  3  1  0  0  0  0
 10  4  1  0  0  0  0
  5  9  1  0  0  0  0
 10  5  1  0  0  0  0
  6 14  1  1  0  0  0
  7  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  6  0  0  0
  8  7  1  0  0  0  0
 17  8  1  0  0  0  0
  8 16  1  1  0  0  0
  8  9  1  0  0  0  0
  9 22  1  6  0  0  0
 10 24  1  1  0  0  0
 11 21  1  0  0  0  0
 17 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  6  0  0  0
 18 35  1  0  0  0  0
 18 21  1  0  0  0  0
 18 19  1  1  0  0  0
 35 26  1  0  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31 30  1  0  0  0  0
 31 33  1  0  0  0  0
 33 32  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0136754

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1

> <INCHI_KEY>
ITZYGDKGRKKBSN-HKFUITGCSA-N

> <FORMULA>
C27H46O4

> <MOLECULAR_WEIGHT>
434.661

> <EXACT_MASS>
434.339609961

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
52.20624287291586

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R)-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-methylheptanoic acid

> <ALOGPS_LOGP>
4.02

> <JCHEM_LOGP>
5.145429132000005

> <ALOGPS_LOGS>
-5.00

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
18.296339908541825

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.82892261028387

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5356619176938756

> <JCHEM_POLAR_SURFACE_AREA>
77.76

> <JCHEM_REFRACTIVITY>
123.05029999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.36e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6R)-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-methylheptanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-20         0                                  
HETATM    1  C   UNK     0       9.591  -7.616   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.591  -9.156   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.925  -6.846   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.925  -9.926   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.593  -9.926   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.259  -7.616   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.593  -6.846   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.926  -7.616   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.926  -9.156   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.259  -9.156   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.593  -5.306   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      17.724  -7.322   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      18.630  -6.076   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.259  -6.076   0.000  0.00  0.00           C+0
HETATM   15  H   UNK     0      13.593  -8.386   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0      14.926  -6.076   0.000  0.00  0.00           H+0
HETATM   17  C   UNK     0      16.260  -6.846   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.260  -5.306   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      16.260  -3.766   0.000  0.00  0.00           C+0
HETATM   20  H   UNK     0      16.260  -8.386   0.000  0.00  0.00           H+0
HETATM   21  C   UNK     0      14.926  -4.536   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      16.260  -9.926   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       8.258  -9.926   0.000  0.00  0.00           O+0
HETATM   24  H   UNK     0      12.259 -10.696   0.000  0.00  0.00           H+0
HETATM   25  C   UNK     0      16.391  -2.521   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      17.724  -3.291   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      19.058  -2.521   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      20.392  -3.291   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      21.726  -2.521   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      23.059  -4.831   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      23.059  -3.291   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      24.393  -0.981   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      24.393  -2.521   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      25.727  -3.291   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      17.724  -4.831   0.000  0.00  0.00           C+0
HETATM   36  H   UNK     0      19.058  -4.061   0.000  0.00  0.00           H+0
CONECT    1    2    3                                                       
CONECT    2    1   23    4                                                  
CONECT    3    1    6                                                       
CONECT    4    2   10                                                       
CONECT    5    9   10                                                       
CONECT    6    3   14    7   10                                             
CONECT    7    6   11   15    8                                             
CONECT    8    7   17   16    9                                             
CONECT    9    5    8   22                                                  
CONECT   10    4    5    6   24                                             
CONECT   11    7   21                                                       
CONECT   12   17   13                                                       
CONECT   13   12   35                                                       
CONECT   14    6                                                            
CONECT   15    7                                                            
CONECT   16    8                                                            
CONECT   17    8   12   18   20                                             
CONECT   18   17   35   21   19                                             
CONECT   19   18                                                            
CONECT   20   17                                                            
CONECT   21   11   18                                                       
CONECT   22    9                                                            
CONECT   23    2                                                            
CONECT   24   10                                                            
CONECT   25   26                                                            
CONECT   26   35   25   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   31                                                       
CONECT   30   31                                                            
CONECT   31   29   30   33                                                  
CONECT   32   33                                                            
CONECT   33   31   32   34                                                  
CONECT   34   33                                                            
CONECT   35   13   18   26   36                                             
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   78    0
END

View in JSmol

Synonyms

Value	Source
3alpha,7alpha-Dihydroxy-5beta-cholestanate	ChEBI
3alpha,7alpha-Dihydroxy-5beta-cholestanic acid	ChEBI
3alpha,7alpha-Dihydroxy-5beta-cholestanoate	ChEBI
3alpha,7alpha-Dihydroxy-5beta-cholestanoic acid	ChEBI
3a,7a-Dihydroxy-5b-cholestanate	Generator
3a,7a-Dihydroxy-5b-cholestanic acid	Generator
3Α,7α-dihydroxy-5β-cholestanate	Generator
3Α,7α-dihydroxy-5β-cholestanic acid	Generator
3a,7a-Dihydroxy-5b-cholestanoate	Generator
3a,7a-Dihydroxy-5b-cholestanoic acid	Generator
3Α,7α-dihydroxy-5β-cholestanoate	Generator
3Α,7α-dihydroxy-5β-cholestanoic acid	Generator
3a,7a-Dihydroxycoprostanate	Generator
3a,7a-Dihydroxycoprostanic acid	Generator
3alpha,7alpha-Dihydroxycoprostanate	Generator
3Α,7α-dihydroxycoprostanate	Generator
3Α,7α-dihydroxycoprostanic acid	Generator
3a,7a-Dihydroxy-5b-cholestan-26-Oate	HMDB
3a,7a-Dihydroxy-5b-cholestan-26-Oic acid	HMDB
3alpha,7alpha-Dihydroxy-5beta-cholestan-26-Oate	HMDB
3Α,7α-dihydroxy-5β-cholestan-26-Oate	HMDB
3Α,7α-dihydroxy-5β-cholestan-26-Oic acid	HMDB
(3Α,5β,7α)-3,7-dihydroxycholestan-26-Oic acid	HMDB
(3a,5b,7a)-3,7-Dihydroxycholestan-26-Oic acid	HMDB
(3alpha,5beta,7alpha)-3,7-Dihydroxycholestan-26-Oic acid	HMDB
3Α,7α-hydroxy-5β-cholestan-26-Oic acid	HMDB
3a,7a-Hydroxy-5β-cholestan-26-Oic acid	HMDB
3alpha,7alpha-Hydroxy-5β-cholestan-26-Oic acid	HMDB
3a,7a-Hydroxy-5b-cholestan-26-Oate	HMDB
3a,7a-Hydroxy-5b-cholestan-26-Oic acid	HMDB
3alpha,7alpha-Dihydroxy-5beta-cholestan-26-Oic acid	HMDB
3alpha,7alpha-Dihydroxycoprostanic acid	HMDB

Chemical Formula

C₂₇H₄₆O₄

Average Mass

434.6610 Da

Monoisotopic Mass

434.33961 Da

IUPAC Name

(6R)-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-methylheptanoic acid

Traditional Name

(6R)-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-methylheptanoic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1

InChI Key

ITZYGDKGRKKBSN-HKFUITGCSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. Dihydroxy bile acids, alcohols and derivatives are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Bile acids, alcohols and derivatives

Direct Parent

Dihydroxy bile acids, alcohols and derivatives

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

3alpha-hydroxy steroid (CHEBI:16577 )
dihydroxy monocarboxylic acid (CHEBI:16577 )
7alpha-hydroxy steroid (CHEBI:16577 )
cholestanoid (CHEBI:16577 )
C27 bile acids, alcohols, and derivatives (LMST04030066 )

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	4.02	ALOGPS
logP	5.15	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	4.83	ChemAxon
pKa (Strongest Basic)	-0.54	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	77.76 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	123.05 m³·mol⁻¹	ChemAxon
Polarizability	52.21 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0000359

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB021979

KNApSAcK ID

Not Available

Chemspider ID

4447327

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

5348

PubChem Compound

5284239

PDB ID

Not Available

ChEBI ID

16577

Good Scents ID

Not Available

References

General References

Showing NP-Card for 3alpha,7alpha-Dihydroxycoprostanic acid (NP0136754)

MOL for NP0136754 (3alpha,7alpha-Dihydroxycoprostanic acid)

3D MOL for NP0136754 (3alpha,7alpha-Dihydroxycoprostanic acid)

3D SDF for NP0136754 (3alpha,7alpha-Dihydroxycoprostanic acid)

3D-SDF for NP0136754 (3alpha,7alpha-Dihydroxycoprostanic acid)

PDB for NP0136754 (3alpha,7alpha-Dihydroxycoprostanic acid)

3D PDB for NP0136754 (3alpha,7alpha-Dihydroxycoprostanic acid)

SMILES for NP0136754 (3alpha,7alpha-Dihydroxycoprostanic acid)

INCHI for NP0136754 (3alpha,7alpha-Dihydroxycoprostanic acid)

Structure for NP0136754 (3alpha,7alpha-Dihydroxycoprostanic acid)

3D Structure for NP0136754 (3alpha,7alpha-Dihydroxycoprostanic acid)