NP-MRD: Showing NP-Card for 7a,12a-Dihydroxy-5b-cholestan-3-one (NP0334772)

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Record Information

Version

2.0

Created at

2024-09-10 19:53:44 UTC

Updated at

2024-09-10 19:53:44 UTC

NP-MRD ID

NP0334772

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7a,12a-Dihydroxy-5b-cholestan-3-one

Description

DG(20:1(11Z)/18:3(6Z,9Z,12Z)/0:0) Belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. Mono- and diacylglycerols are common food additives used to blend together certain ingredients, such as oil and water, which would not otherwise blend well. DG(20:1(11Z)/18:3(6Z,9Z,12Z)/0:0) Is an extremely weak basic (essentially neutral) compound (based on its pKa). Within humans, DG(20:1(11Z)/18:3(6Z,9Z,12Z)/0:0) Participates in a number of enzymatic reactions. In particular, DG(20:1(11Z)/18:3(6Z,9Z,12Z)/0:0) Can be biosynthesized from PA(20:1(11Z)/18:3(6Z,9Z,12Z)); which is catalyzed by the enzyme phosphatidate phosphatase. In addition, DG(20:1(11Z)/18:3(6Z,9Z,12Z)/0:0) And meadoyl-CoA can be converted into TG(20:1(11Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)); which is mediated by the enzyme diacylglycerol O-acyltransferase. Diacylglycerols are precursors to triacylglycerols (triglyceride), which are formed by the addition of a third fatty acid to the diacylglycerol under the catalysis of diglyceride acyltransferase. DG(20:1(11Z)/18:3(6Z,9Z,12Z)/0:0), In particular, consists of one chain of eicosenoic acid at the C-1 position and one chain of g-linolenic acid at the C-2 position. Diacylglycerols can have many different combinations of fatty acids attached at both the C-1 and C-2 positions. Synthesis of diacylglycerol begins with glycerol-3-phosphate, which is derived primarily from dihydroxyacetone phosphate, a product of glycolysis (usually in the cytoplasm of liver or adipose tissue cells). In humans, DG(20:1(11Z)/18:3(6Z,9Z,12Z)/0:0) Is involved in the metabolic disorder called de novo triacylglycerol biosynthesis pathway. Phosphatidic acid is then de-phosphorylated to form diacylglycerol. Glycerol-3-phosphate is first acylated with acyl-coenzyme A (acyl-CoA) to form lysophosphatidic acid, which is then acylated with another molecule of acyl-CoA to yield phosphatidic acid. It is a glyceride consisting of two fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Since diacylglycerols are synthesized via phosphatidic acid, they will usually contain a saturated fatty acid at the C-1 position on the glycerol moiety and an unsaturated fatty acid at the C-2 position. DG(20:1(11Z)/18:3(6Z,9Z,12Z)/0:0) Is a diglyceride, or a diacylglycerol (DAG). The eicosenoic acid moiety is derived from vegetable oils and cod oils, while the g-linolenic acid moiety is derived from animal fats. Dacylglycerols are often found in bakery products, beverages, ice cream, chewing gum, shortening, whipped toppings, margarine, and confections.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02231220542D          

 33 36  0  0  1  0            999 V2000
   12.7031  -10.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9974   -9.1049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1525  -10.4667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5390   -5.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1800   -5.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0561   -7.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4252   -9.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7131   -8.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6701   -6.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4771   -6.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4152   -7.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8382   -9.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3533   -9.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962  -10.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7107   -9.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7107  -11.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1396  -11.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1396   -8.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7320   -5.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6082   -7.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4252  -10.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962  -10.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3533   -8.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5686   -9.6753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1396   -9.6753    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8541  -10.9128    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8541   -8.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8541  -10.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4252  -10.0878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5686   -8.8503    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2818  -11.3253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5686  -11.3253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8541   -7.6128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4 19  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
 29  7  1  1  0  0  0
 30  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 29  1  0  0  0  0
 16 22  1  0  0  0  0
 21 16  1  0  0  0  0
 17 21  1  0  0  0  0
 17 26  1  0  0  0  0
 18 25  1  0  0  0  0
 18 27  1  0  0  0  0
 20 23  1  0  0  0  0
 21 29  1  0  0  0  0
 22 31  2  0  0  0  0
 23 30  1  0  0  0  0
 24 28  1  0  0  0  0
 24 30  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 28  1  0  0  0  0
 26 32  1  6  0  0  0
 27 33  1  1  0  0  0
 27 30  1  0  0  0  0
 25  3  1  6  0  0  0
 27  2  1  6  0  0  0
 24  1  1  1  0  0  0
M  END


  Mrv0541 02231220542D          

 33 36  0  0  1  0            999 V2000
   12.7031  -10.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9974   -9.1049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1525  -10.4667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5390   -5.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1800   -5.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0561   -7.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4252   -9.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7131   -8.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6701   -6.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4771   -6.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4152   -7.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8382   -9.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3533   -9.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962  -10.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7107   -9.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7107  -11.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1396  -11.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1396   -8.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7320   -5.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6082   -7.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4252  -10.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962  -10.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3533   -8.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5686   -9.6753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1396   -9.6753    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8541  -10.9128    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8541   -8.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8541  -10.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4252  -10.0878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5686   -8.8503    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2818  -11.3253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5686  -11.3253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8541   -7.6128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4 19  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
 29  7  1  1  0  0  0
 30  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 23  1  0  0  0  0
 12 13  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 15 29  1  0  0  0  0
 16 22  1  0  0  0  0
 21 16  1  0  0  0  0
 17 21  1  0  0  0  0
 17 26  1  0  0  0  0
 18 25  1  0  0  0  0
 18 27  1  0  0  0  0
 20 23  1  0  0  0  0
 21 29  1  0  0  0  0
 22 31  2  0  0  0  0
 23 30  1  0  0  0  0
 24 28  1  0  0  0  0
 24 30  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 28  1  0  0  0  0
 26 32  1  6  0  0  0
 27 33  1  1  0  0  0
 27 30  1  0  0  0  0
 25  3  1  6  0  0  0
 27  2  1  6  0  0  0
 24  1  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0334772

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12CCC(C(C)CCCC(C)C)[C@@]1(C)C([H])(O)C[C@@]1([H])C2[C@H](O)CC2CC(=O)CC[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17?,18?,20?,21-,22+,23-,24-,25?,26+,27-/m1/s1

> <INCHI_KEY>
HHVQPBXBALLUDF-JEUKKHAPSA-N

> <FORMULA>
C27H46O3

> <MOLECULAR_WEIGHT>
418.6523

> <EXACT_MASS>
418.344695338

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
51.37542916438328

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,9R,11R,15R)-9,16-dihydroxy-2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

> <ALOGPS_LOGP>
4.73

> <JCHEM_LOGP>
5.186393449666669

> <ALOGPS_LOGS>
-5.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.986676644374217

> <JCHEM_PKA_STRONGEST_BASIC>
-0.17839052846966374

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
121.84639999999992

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.49e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,9R,11R,15R)-9,16-dihydroxy-2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  H   UNK     0      23.712 -19.130   0.000  0.00  0.00           H+0
HETATM    2  H   UNK     0      22.395 -16.996   0.000  0.00  0.00           H+0
HETATM    3  H   UNK     0      20.818 -19.538   0.000  0.00  0.00           H+0
HETATM    4  C   UNK     0      30.873 -10.690   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      28.336  -9.866   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      24.371 -13.436   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      19.460 -17.291   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      23.731 -15.004   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      27.384 -12.795   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      28.891 -12.475   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      26.908 -14.260   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      25.831 -17.291   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      24.926 -18.536   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.793 -18.831   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      18.127 -18.061   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      18.127 -21.141   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.794 -21.141   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      20.794 -16.521   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      29.366 -11.010   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      25.402 -14.580   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      19.460 -20.371   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.793 -20.371   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      24.926 -16.045   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      23.461 -18.061   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      20.794 -18.061   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      22.128 -20.371   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      22.128 -15.751   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      22.128 -18.831   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      19.460 -18.831   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      23.461 -16.521   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      15.459 -21.141   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      23.461 -21.141   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      22.128 -14.211   0.000  0.00  0.00           O+0
CONECT    1   24                                                            
CONECT    2   27                                                            
CONECT    3   25                                                            
CONECT    4   19                                                            
CONECT    5   19                                                            
CONECT    6   20                                                            
CONECT    7   29                                                            
CONECT    8   30                                                            
CONECT    9   10   11                                                       
CONECT   10    9   19                                                       
CONECT   11    9   20                                                       
CONECT   12   23   13                                                       
CONECT   13   12   24                                                       
CONECT   14   15   22                                                       
CONECT   15   14   29                                                       
CONECT   16   22   21                                                       
CONECT   17   21   26                                                       
CONECT   18   25   27                                                       
CONECT   19    4    5   10                                                  
CONECT   20    6   11   23                                                  
CONECT   21   16   17   29                                                  
CONECT   22   14   16   31                                                  
CONECT   23   12   20   30                                                  
CONECT   24   13   28   30    1                                             
CONECT   25   18   28   29    3                                             
CONECT   26   17   28   32                                                  
CONECT   27   18   33   30    2                                             
CONECT   28   24   25   26                                                  
CONECT   29    7   15   21   25                                             
CONECT   30    8   23   24   27                                             
CONECT   31   22                                                            
CONECT   32   26                                                            
CONECT   33   27                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

View in JSmol

Synonyms

Value	Source
5b-Cholestane-7a,12a-diol-3-one	HMDB
5beta-Cholestane-7alpha,12alpha-diol-3-one	HMDB
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one	HMDB

Chemical Formula

C₂₇H₄₆O₃

Average Mass

418.6523 Da

Monoisotopic Mass

418.34470 Da

IUPAC Name

(1S,2S,9R,11R,15R)-9,16-dihydroxy-2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

Traditional Name

(1S,2S,9R,11R,15R)-9,16-dihydroxy-2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

CAS Registry Number

Not Available

SMILES

[H][C@]12CCC(C(C)CCCC(C)C)[C@@]1(C)C([H])(O)C[C@@]1([H])C2[C@H](O)CC2CC(=O)CC[C@]12C

InChI Identifier

InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17?,18?,20?,21-,22+,23-,24-,25?,26+,27-/m1/s1

InChI Key

HHVQPBXBALLUDF-JEUKKHAPSA-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 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Diradylglycerols

Direct Parent

1,2-diacylglycerols

Alternative Parents

Substituents

1,2-acyl-sn-glycerol
Fatty acid ester
Fatty acyl
Dicarboxylic acid or derivatives
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	4.73	ALOGPS
logP	5.19	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	19.99	ChemAxon
pKa (Strongest Basic)	-0.18	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	121.85 m³·mol⁻¹	ChemAxon
Polarizability	51.38 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	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB024587

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 7a,12a-Dihydroxy-5b-cholestan-3-one (NP0334772)

MOL for NP0334772 (7a,12a-Dihydroxy-5b-cholestan-3-one)

3D MOL for NP0334772 (7a,12a-Dihydroxy-5b-cholestan-3-one)

3D SDF for NP0334772 (7a,12a-Dihydroxy-5b-cholestan-3-one)

3D-SDF for NP0334772 (7a,12a-Dihydroxy-5b-cholestan-3-one)

PDB for NP0334772 (7a,12a-Dihydroxy-5b-cholestan-3-one)

3D PDB for NP0334772 (7a,12a-Dihydroxy-5b-cholestan-3-one)

SMILES for NP0334772 (7a,12a-Dihydroxy-5b-cholestan-3-one)

INCHI for NP0334772 (7a,12a-Dihydroxy-5b-cholestan-3-one)

Structure for NP0334772 (7a,12a-Dihydroxy-5b-cholestan-3-one)

3D Structure for NP0334772 (7a,12a-Dihydroxy-5b-cholestan-3-one)