MiMeDB: Showing metabocard for Tetraprenyl-alpha-curcumene (MMDBc0017320)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 07:44:16 UTC

Update Date

2022-08-31 06:42:09 UTC

Metabolite ID

MMDBc0017320

Metabolite Identification

Common Name

Tetraprenyl-alpha-curcumene

Description

(R)-tetraprenyl-beta-curcumene belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units (R)-tetraprenyl-beta-curcumene is possibly neutral.

Structure

MOL SDF PDB SMILES InChI

 
  Mrv1533006041518012D          
 
 35 35  0  0  1  0            999 V2000
   13.4990   -9.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2134   -8.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9279   -9.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6423   -8.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3567   -9.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0712   -8.6650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.7856   -9.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2134   -7.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0712   -7.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7856   -9.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5000  -10.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2145   -9.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2145   -9.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5000   -8.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9423  -10.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7893   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0740   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3587   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6434   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9280   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2127   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4975   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7821   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0668   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3515   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6362   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2055   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3587   -7.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4975   -7.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6362   -7.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4954   -9.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927   -8.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0909   -9.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7926   -7.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  6  9  1  1  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  2  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 18 29  1  0  0  0  0
 22 30  1  0  0  0  0
 26 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END

 
  Mrv1533006041518012D          
 
 35 35  0  0  1  0            999 V2000
   13.4990   -9.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2134   -8.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9279   -9.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6423   -8.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3567   -9.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0712   -8.6650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.7856   -9.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2134   -7.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0712   -7.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7856   -9.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5000  -10.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2145   -9.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2145   -9.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5000   -8.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9423  -10.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7893   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0740   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3587   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6434   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9280   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2127   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4975   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7821   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0668   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3515   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6362   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209   -9.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2055   -8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3587   -7.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4975   -7.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6362   -7.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4954   -9.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927   -8.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0909   -9.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7926   -7.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  6  9  1  1  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  2  0  0  0  0
 12 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 18 29  1  0  0  0  0
 22 30  1  0  0  0  0
 26 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0017320

> <DATABASE_NAME>
MIME

> <SMILES>
C[C@H](CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=CCC(C)=CC1

> <INCHI_IDENTIFIER>
InChI=1S/C35H56/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-34(8)35-26-24-33(7)25-27-35/h14,16,18,20,22,24,27,34H,9-13,15,17,19,21,23,25-26H2,1-8H3/b29-16+,30-18+,31-20+,32-22+/t34-/m1/s1

> <INCHI_KEY>
JNKLTDAEXGOBGE-NLSUEFBUSA-N

> <FORMULA>
C35H56

> <MOLECULAR_WEIGHT>
476.833

> <EXACT_MASS>
476.438201803

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
91

> <JCHEM_AVERAGE_POLARIZABILITY>
64.61858780291266

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methyl-4-[(2R,5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl]cyclohexa-1,4-diene

> <ALOGPS_LOGP>
9.43

> <JCHEM_LOGP>
11.460450356333332

> <ALOGPS_LOGS>
-6.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
166.56580000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.59e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-methyl-4-[(2R,5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl]cyclohexa-1,4-diene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-JUN-15   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUN-15         0                                  
HETATM    1  C   UNK     0      25.198 -16.945   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      26.532 -16.175   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      27.865 -16.945   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      29.199 -16.175   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      30.533 -16.945   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      31.866 -16.175   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      33.200 -16.945   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      26.532 -14.635   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      31.866 -14.635   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      33.200 -18.485   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      34.533 -19.255   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      35.867 -18.485   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      35.867 -16.945   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      34.533 -16.175   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      37.226 -19.269   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      23.873 -16.189   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      22.538 -16.960   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      21.203 -16.189   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      19.868 -16.960   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.532 -16.189   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      17.197 -16.960   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.862 -16.189   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.527 -16.960   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.191 -16.189   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.856 -16.960   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.521 -16.189   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.186 -16.960   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.850 -16.189   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      21.203 -14.647   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.862 -14.647   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.521 -14.648   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.525 -16.954   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.213 -16.197   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.903 -16.953   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.213 -14.648   0.000  0.00  0.00           C+0
CONECT    1    2   16                                                       
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6   10   14                                                  
CONECT    8    2                                                            
CONECT    9    6                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13    7                                                       
CONECT   15   12                                                            
CONECT   16    1   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   29                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   30                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   32                                                       
CONECT   29   18                                                            
CONECT   30   22                                                            
CONECT   31   26                                                            
CONECT   32   28   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   70    0
END

Synonyms

Value	Source
all-trans-(R)-Tetraprenyl-beta-curcumene	ChEBI
Tetraprenyl-beta-curcumene	ChEBI
all-trans-(R)-Tetraprenyl-b-curcumene	Generator
all-trans-(R)-Tetraprenyl-β-curcumene	Generator
Tetraprenyl-b-curcumene	Generator
Tetraprenyl-β-curcumene	Generator
(R)-Tetraprenyl-b-curcumene	Generator
(R)-Tetraprenyl-β-curcumene	Generator

Molecular Formula

C₃₅H₅₆

Average Mass

476.833

Monoisotopic Mass

476.438201803

IUPAC Name

1-methyl-4-[(2R,5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl]cyclohexa-1,4-diene

Traditional Name

1-methyl-4-[(2R,5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl]cyclohexa-1,4-diene

CAS Registry Number

Not Available

SMILES

C[C@H](CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=CCC(C)=CC1

InChI Identifier

InChI=1S/C35H56/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-34(8)35-26-24-33(7)25-27-35/h14,16,18,20,22,24,27,34H,9-13,15,17,19,21,23,25-26H2,1-8H3/b29-16+,30-18+,31-20+,32-22+/t34-/m1/s1

InChI Key

JNKLTDAEXGOBGE-NLSUEFBUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesterterpenoids

Direct Parent

Sesterterpenoids

Alternative Parents

Substituents

Sesterterpenoid
Branched unsaturated hydrocarbon
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

cyclohexadiene (CHEBI:64801 )
sesquarterpene (CHEBI:64801 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.00036 g/L	ALOGPS
logP	9.43	ALOGPS
logP	11.46	ChemAxon
logS	-6.1	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	166.57 m³·mol⁻¹	ChemAxon
Polarizability	64.62 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0322900000-5b6d90b6066767c5aea0	2019-02-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0k9i-2975300000-5693334fb8727e23cd75	2019-02-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0k9i-3797300000-f53919ca50237d741600	2019-02-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0000900000-ae5db3d70f05184b49c4	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-0000900000-cb5f12881868cf5188d5	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-1653900000-f2aedfd7ff6efbfe0bd6	2019-02-23	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
Bacteria	Firmicutes	2	Human feces; Human	Metabolic reconstruction

Exposure Sources

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

Not Available

KEGG Compound ID

C20276

BioCyc ID

CPD-14310

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

57339299

PDB ID

Not Available

ChEBI ID

64801

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 Tetraprenyl-alpha-curcumene (MMDBc0017320)

MOL for #<Metabolite:0x00007fdb5044c270>

3D MOL for #<Metabolite:0x00007fdb5044c270>

3D SDF for #<Metabolite:0x00007fdb5044c270>

3D-SDF for #<Metabolite:0x00007fdb5044c270>

PDB for #<Metabolite:0x00007fdb5044c270>

3D PDB for #<Metabolite:0x00007fdb5044c270>

SMILES for #<Metabolite:0x00007fdb5044c270>

INCHI for #<Metabolite:0x00007fdb5044c270>

Structure for #<Metabolite:0x00007fdb5044c270>

3D Structure for #<Metabolite:0x00007fdb5044c270>