MiMeDB: Showing metabocard for (17Z)-protosta-17(20),24-dien-3beta-ol (MMDBc0054765)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-17 19:34:06 UTC

Update Date

2022-08-12 20:09:04 UTC

Metabolite ID

MMDBc0054765

Metabolite Identification

Common Name

(17Z)-protosta-17(20),24-dien-3beta-ol

Description

Protostadienol belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a small amount of articles have been published on Protostadienol.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172221342D          

 35 38  0  0  1  0            999 V2000
    4.4466    3.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6421    2.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3858    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7787   -2.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7762   -2.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0119   -1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3155   -1.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076    1.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3185    2.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5139    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0658    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8779    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7188   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3142   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5021   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9067   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1357    2.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5339   -0.2441    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2506   -1.4557    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1582   -0.5346    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5945   -0.9702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0627   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9703   -0.6798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8142   -1.0201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6264   -1.1653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4067   -1.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3461   -0.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7824   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4385   -1.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8748   -1.7461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 13 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  1  1  0  0  0  0
 20  2  1  0  0  0  0
 20 10  2  0  0  0  0
 21  3  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 22 21  2  0  0  0  0
 23 12  1  0  0  0  0
 23 22  1  0  0  0  0
 24 15  1  0  0  0  0
 25 13  1  0  0  0  0
 26 16  1  0  0  0  0
 27  4  1  0  0  0  0
 27  5  1  0  0  0  0
 27 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28  6  1  6  0  0  0
 28 17  1  0  0  0  0
 28 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29  7  1  6  0  0  0
 29 18  1  0  0  0  0
 29 23  1  0  0  0  0
 30  8  1  1  0  0  0
 30 19  1  0  0  0  0
 30 25  1  0  0  0  0
 30 29  1  0  0  0  0
 26 31  1  6  0  0  0
 23 32  1  1  0  0  0
 24 33  1  1  0  0  0
 25 34  1  6  0  0  0
 26 35  1  1  0  0  0
M  END


  Mrv1652306172221342D          

 35 38  0  0  1  0            999 V2000
    4.4466    3.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6421    2.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3858    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7787   -2.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7762   -2.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0119   -1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3155   -1.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076    1.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3185    2.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5139    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0658    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8779    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7188   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3142   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5021   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9067   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1357    2.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5339   -0.2441    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2506   -1.4557    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1582   -0.5346    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5945   -0.9702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0627   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9703   -0.6798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8142   -1.0201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6264   -1.1653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4067   -1.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3461   -0.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7824   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4385   -1.3105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8748   -1.7461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 13 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  1  1  0  0  0  0
 20  2  1  0  0  0  0
 20 10  2  0  0  0  0
 21  3  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 22 21  2  0  0  0  0
 23 12  1  0  0  0  0
 23 22  1  0  0  0  0
 24 15  1  0  0  0  0
 25 13  1  0  0  0  0
 26 16  1  0  0  0  0
 27  4  1  0  0  0  0
 27  5  1  0  0  0  0
 27 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28  6  1  6  0  0  0
 28 17  1  0  0  0  0
 28 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29  7  1  6  0  0  0
 29 18  1  0  0  0  0
 29 23  1  0  0  0  0
 30  8  1  1  0  0  0
 30 19  1  0  0  0  0
 30 25  1  0  0  0  0
 30 29  1  0  0  0  0
 26 31  1  6  0  0  0
 23 32  1  1  0  0  0
 24 33  1  1  0  0  0
 25 34  1  6  0  0  0
 26 35  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0054765

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@]12CC[C@@]3([H])[C@@]4(C)CC[C@]([H])(O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]1(C)CC\C2=C(/C)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,23-26,31H,9,11-19H2,1-8H3/b22-21-/t23-,24-,25-,26-,28-,29-,30-/m0/s1

> <INCHI_KEY>
CKYVHRSYUPJCLG-PTZNGALWSA-N

> <FORMULA>
C30H50O

> <MOLECULAR_WEIGHT>
426.729

> <EXACT_MASS>
426.38616623

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
54.77502588857271

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,5S,7R,10S,11S,14Z,15S)-2,6,6,10,11-pentamethyl-14-(6-methylhept-5-en-2-ylidene)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol

> <JCHEM_LOGP>
7.706672521

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.489433390176508

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8351218351367943

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
134.54469999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,5S,7R,10S,11S,14Z,15S)-2,6,6,10,11-pentamethyl-14-(6-methylhept-5-en-2-ylidene)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0       8.300   6.416   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.665   3.774   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.453   0.499   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.520  -4.434   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.382  -3.762   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.488   0.179   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.356  -3.399   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.922  -3.602   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.614   3.352   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.194   4.779   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.559   2.137   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.456   0.722   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.972   0.451   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.496  -1.985   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.542  -3.895   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      15.520  -0.363   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.004  -0.092   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.771  -2.849   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.026  -3.624   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.720   4.989   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.979   0.710   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.924  -0.506   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.463  -0.456   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.534  -2.717   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.495  -0.998   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      16.043  -1.811   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.050  -2.988   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.011  -1.269   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.987  -1.904   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.503  -2.175   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      17.559  -2.082   0.000  0.00  0.00           O+0
HETATM   32  H   UNK     0       9.979  -0.727   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      14.527  -1.540   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      12.019  -2.446   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      16.566  -3.259   0.000  0.00  0.00           H+0
CONECT    1   20                                                            
CONECT    2   20                                                            
CONECT    3   21                                                            
CONECT    4   27                                                            
CONECT    5   27                                                            
CONECT    6   28                                                            
CONECT    7   29                                                            
CONECT    8   30                                                            
CONECT    9   10   11                                                       
CONECT   10    9   20                                                       
CONECT   11    9   21                                                       
CONECT   12   13   23                                                       
CONECT   13   12   25                                                       
CONECT   14   18   22                                                       
CONECT   15   19   24                                                       
CONECT   16   17   26                                                       
CONECT   17   16   28                                                       
CONECT   18   14   29                                                       
CONECT   19   15   30                                                       
CONECT   20    1    2   10                                                  
CONECT   21    3   11   22                                                  
CONECT   22   14   21   23                                                  
CONECT   23   12   22   29   32                                             
CONECT   24   15   27   28   33                                             
CONECT   25   13   28   30   34                                             
CONECT   26   16   27   31   35                                             
CONECT   27    4    5   24   26                                             
CONECT   28    6   17   24   25                                             
CONECT   29    7   18   23   30                                             
CONECT   30    8   19   25   29                                             
CONECT   31   26                                                            
CONECT   32   23                                                            
CONECT   33   24                                                            
CONECT   34   25                                                            
CONECT   35   26                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

Synonyms

Value	Source
Protosta-17(20)Z,24-dien-3beta-ol	ChEBI
Protosta-17(20)Z,24-dien-3b-ol	Generator
Protosta-17(20)Z,24-dien-3β-ol	Generator

Molecular Formula

C₃₀H₅₀O

Average Mass

426.729

Monoisotopic Mass

426.38616623

IUPAC Name

(1S,2R,5S,7R,10S,11S,14Z,15S)-2,6,6,10,11-pentamethyl-14-(6-methylhept-5-en-2-ylidene)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol

Traditional Name

(1S,2R,5S,7R,10S,11S,14Z,15S)-2,6,6,10,11-pentamethyl-14-(6-methylhept-5-en-2-ylidene)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC[C@@]3([H])[C@@]4(C)CC[C@]([H])(O)C(C)(C)[C@]4([H])CC[C@]3(C)[C@@]1(C)CC\C2=C(/C)CCC=C(C)C

InChI Identifier

InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,23-26,31H,9,11-19H2,1-8H3/b22-21-/t23-,24-,25-,26-,28-,29-,30-/m0/s1

InChI Key

CKYVHRSYUPJCLG-PTZNGALWSA-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
3-beta-hydroxysteroid
Hydroxysteroid
3-hydroxysteroid
Steroid
Cyclic alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

3beta-hydroxy steroid (CHEBI:62457 )
tetracyclic triterpenoid (CHEBI:62457 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	7.71	ChemAxon
pKa (Strongest Acidic)	19.49	ChemAxon
pKa (Strongest Basic)	-0.84	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	3	ChemAxon
Refractivity	134.54 m³·mol⁻¹	ChemAxon
Polarizability	54.78 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-10	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum

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

Metabolic Reactions

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
Eukaryota/Fungi	Ascomycota	4

Exposure Sources

Source Type	Source Sub-type	Species	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

26332719

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53239772

PDB ID

Not Available

ChEBI ID

62457

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for (17Z)-protosta-17(20),24-dien-3beta-ol (MMDBc0054765)

MOL for #<Metabolite:0x00007fecb1286310>

3D MOL for #<Metabolite:0x00007fecb1286310>

3D SDF for #<Metabolite:0x00007fecb1286310>

3D-SDF for #<Metabolite:0x00007fecb1286310>

PDB for #<Metabolite:0x00007fecb1286310>

3D PDB for #<Metabolite:0x00007fecb1286310>

SMILES for #<Metabolite:0x00007fecb1286310>

INCHI for #<Metabolite:0x00007fecb1286310>

Structure for #<Metabolite:0x00007fecb1286310>

3D Structure for #<Metabolite:0x00007fecb1286310>