MiMeDB: Showing metabocard for 2Î²-methyltetrahymanol (MMDBc0019775)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 09:48:26 UTC

Update Date

2025-10-07 16:07:01 UTC

Metabolite ID

MMDBc0019775

Metabolite Identification

Common Name

2Î²-methyltetrahymanol

Description

2Î²-methyltetrahymanol is a triterpenoid, a chemical class characterized by a structure consisting of four fused rings. There is limited literature available on this metabolite, indicating that further research may be needed to fully understand its biological significance and potential applications.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152111482D          

 38 42  0  0  1  0            999 V2000
   -0.1105    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8522   -0.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9337   -1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452   -1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4733   -0.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907   -1.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2520   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9355    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 20  1  1  1  0  0  0
 20 19  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 20  1  0  0  0  0
 26  2  1  0  0  0  0
 26  3  1  0  0  0  0
 26 15  1  0  0  0  0
 26 21  1  0  0  0  0
 27  4  1  0  0  0  0
 27  5  1  0  0  0  0
 27 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28  6  1  6  0  0  0
 28 16  1  0  0  0  0
 28 21  1  0  0  0  0
 28 23  1  0  0  0  0
 29  7  1  1  0  0  0
 29 19  1  0  0  0  0
 29 22  1  0  0  0  0
 29 24  1  0  0  0  0
 30  8  1  6  0  0  0
 30 17  1  0  0  0  0
 30 23  1  0  0  0  0
 31  9  1  1  0  0  0
 31 18  1  0  0  0  0
 31 24  1  0  0  0  0
 31 30  1  0  0  0  0
 25 32  1  1  0  0  0
 20 33  1  6  0  0  0
 21 34  1  1  0  0  0
 22 35  1  6  0  0  0
 23 36  1  1  0  0  0
 24 37  1  6  0  0  0
 25 38  1  6  0  0  0
M  END


  Mrv1652305152111482D          

 38 42  0  0  1  0            999 V2000
   -0.1105    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8522   -0.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9337   -1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452   -1.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4733   -0.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907   -1.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2520   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9355    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 20  1  1  1  0  0  0
 20 19  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 20  1  0  0  0  0
 26  2  1  0  0  0  0
 26  3  1  0  0  0  0
 26 15  1  0  0  0  0
 26 21  1  0  0  0  0
 27  4  1  0  0  0  0
 27  5  1  0  0  0  0
 27 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28  6  1  6  0  0  0
 28 16  1  0  0  0  0
 28 21  1  0  0  0  0
 28 23  1  0  0  0  0
 29  7  1  1  0  0  0
 29 19  1  0  0  0  0
 29 22  1  0  0  0  0
 29 24  1  0  0  0  0
 30  8  1  6  0  0  0
 30 17  1  0  0  0  0
 30 23  1  0  0  0  0
 31  9  1  1  0  0  0
 31 18  1  0  0  0  0
 31 24  1  0  0  0  0
 31 30  1  0  0  0  0
 25 32  1  1  0  0  0
 20 33  1  6  0  0  0
 21 34  1  1  0  0  0
 22 35  1  6  0  0  0
 23 36  1  1  0  0  0
 24 37  1  6  0  0  0
 25 38  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0019775

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(C)C[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC[C@]2([H])[C@@]4(C)CCCC(C)(C)[C@]4([H])CC[C@@]32C)C(C)(C)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C31H54O/c1-20-19-29(7)22(27(4,5)25(20)32)14-18-31(9)24(29)12-11-23-28(6)16-10-15-26(2,3)21(28)13-17-30(23,31)8/h20-25,32H,10-19H2,1-9H3/t20-,21-,22-,23+,24+,25-,28-,29-,30+,31+/m0/s1

> <INCHI_KEY>
YOTLLNSLPKVZGB-QZDUFMJVSA-N

> <FORMULA>
C31H54O

> <MOLECULAR_WEIGHT>
442.772

> <EXACT_MASS>
442.417466359

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
56.60205389099613

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4aR,6aR,6bR,8aS,12aS,12bR,14aR,14bR)-2,4,4,6a,6b,9,9,12a,14b-nonamethyl-docosahydropicen-3-ol

> <ALOGPS_LOGP>
6.46

> <JCHEM_LOGP>
8.173693141999998

> <ALOGPS_LOGS>
-7.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5740638612723145

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
135.5289

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.50e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4aR,6aR,6bR,8aS,12aS,12bR,14aR,14bR)-2,4,4,6a,6b,9,9,12a,14b-nonamethyl-hexadecahydropicen-3-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0      -0.206   3.437   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.791  -1.090   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.076  -2.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.831  -2.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.883  -1.090   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.264   2.104   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.954  -1.897   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.023  -2.095   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.344   2.104   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.724   2.104   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.184   2.104   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.034  -1.897   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.874  -1.897   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.114   0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.804   2.104   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.494  -1.897   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.414  -1.897   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.104   2.104   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.564   2.104   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.804  -0.564   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.104  -0.564   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.494   0.770   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.414   0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.206   0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.344  -0.564   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.564  -0.564   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.034   0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.724  -0.564   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.184  -0.564   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -1.746   0.770   0.000  0.00  0.00           O+0
HETATM   33  H   UNK     0      -0.976   2.104   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      10.574  -1.897   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       8.264  -0.564   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       3.644  -0.564   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      -0.976  -0.564   0.000  0.00  0.00           H+0
CONECT    1   20                                                            
CONECT    2   26                                                            
CONECT    3   26                                                            
CONECT    4   27                                                            
CONECT    5   27                                                            
CONECT    6   28                                                            
CONECT    7   29                                                            
CONECT    8   30                                                            
CONECT    9   31                                                            
CONECT   10   15   16                                                       
CONECT   11   12   23                                                       
CONECT   12   11   24                                                       
CONECT   13   17   21                                                       
CONECT   14   18   22                                                       
CONECT   15   10   26                                                       
CONECT   16   10   28                                                       
CONECT   17   13   30                                                       
CONECT   18   14   31                                                       
CONECT   19   20   29                                                       
CONECT   20    1   19   25   33                                             
CONECT   21   13   26   28   34                                             
CONECT   22   14   27   29   35                                             
CONECT   23   11   28   30   36                                             
CONECT   24   12   29   31   37                                             
CONECT   25   20   27   32   38                                             
CONECT   26    2    3   15   21                                             
CONECT   27    4    5   22   25                                             
CONECT   28    6   16   21   23                                             
CONECT   29    7   19   22   24                                             
CONECT   30    8   17   23   31                                             
CONECT   31    9   18   24   30                                             
CONECT   32   25                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   22                                                            
CONECT   36   23                                                            
CONECT   37   24                                                            
CONECT   38   25                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

Synonyms

Value	Source
2b-Methyltetrahymanol	Generator
2Β-methyltetrahymanol	Generator

Molecular Formula

C₃₁H₅₄O

Average Mass

442.772

Monoisotopic Mass

442.417466359

IUPAC Name

(2S,3S,4aR,6aR,6bR,8aS,12aS,12bR,14aR,14bR)-2,4,4,6a,6b,9,9,12a,14b-nonamethyl-docosahydropicen-3-ol

Traditional Name

(2S,3S,4aR,6aR,6bR,8aS,12aS,12bR,14aR,14bR)-2,4,4,6a,6b,9,9,12a,14b-nonamethyl-hexadecahydropicen-3-ol

CAS Registry Number

Not Available

SMILES

[H][C@]1(C)C[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC[C@]2([H])[C@@]4(C)CCCC(C)(C)[C@]4([H])CC[C@@]32C)C(C)(C)[C@@]1([H])O

InChI Identifier

InChI=1S/C31H54O/c1-20-19-29(7)22(27(4,5)25(20)32)14-18-31(9)24(29)12-11-23-28(6)16-10-15-26(2,3)21(28)13-17-30(23,31)8/h20-25,32H,10-19H2,1-9H3/t20-,21-,22-,23+,24+,25-,28-,29-,30+,31+/m0/s1

InChI Key

YOTLLNSLPKVZGB-QZDUFMJVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Cyclic alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	3.5e-05 g/L	ALOGPS
logP	6.46	ALOGPS
logP	8.17	ChemAxon
logS	-7.1	ALOGPS
pKa (Strongest Basic)	-0.57	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	135.53 m³·mol⁻¹	ChemAxon
Polarizability	56.6 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	2	Human feces	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78438646

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101124566

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for 2Î²-methyltetrahymanol (MMDBc0019775)

MOL for #<Metabolite:0x00007f8dc8764bb8>

3D MOL for #<Metabolite:0x00007f8dc8764bb8>

3D SDF for #<Metabolite:0x00007f8dc8764bb8>

3D-SDF for #<Metabolite:0x00007f8dc8764bb8>

PDB for #<Metabolite:0x00007f8dc8764bb8>

3D PDB for #<Metabolite:0x00007f8dc8764bb8>

SMILES for #<Metabolite:0x00007f8dc8764bb8>

INCHI for #<Metabolite:0x00007f8dc8764bb8>

Structure for #<Metabolite:0x00007f8dc8764bb8>

3D Structure for #<Metabolite:0x00007f8dc8764bb8>