MiMeDB: Showing metabocard for Lycopene (MMDBc0053429)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-05-16 21:24:22 UTC

Update Date

2024-04-30 20:49:06 UTC

Metabolite ID

MMDBc0053429

Metabolite Identification

Common Name

Lycopene

Description

Lycopene (molecular formula: C40H56) is a bright red carotenoid pigment. It is a phytochemical found in tomatoes and other red fruits. Lycopene is the most common carotenoid in the human body and is one of the most potent carotenoid antioxidants. Its name is derived from the tomato's species classification, Solanum lycopersicum. Lycopene is a terpene assembled from 8 isoprene units. Lycopene is the most powerful carotenoid quencher of singlet oxygen. Singlet oxygen from ultraviolet light is a primary cause of skin aging (Wikipedia ).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652303102018242D          

 40 39  0  0  0  0            999 V2000
    1.8298   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443  -10.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2588   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9732  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6877   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4022  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4022  -10.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8312  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5457   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2601  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9746   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2601  -10.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4035   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1181  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8325   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1181  -10.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5470  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2615   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2615   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9759   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6904   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9759   -7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4049   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1194   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8339   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5483   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8339   -7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2628   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9773   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6917   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4062   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6917   -7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1207   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8352   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5497   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2642   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5497   -7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 38  1  0  0  0  0
M  END


  Mrv1652303102018242D          

 40 39  0  0  0  0            999 V2000
    1.8298   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5443  -10.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2588   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9732  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6877   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4022  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4022  -10.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8312  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5457   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2601  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9746   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2601  -10.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4035   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1181  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8325   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1181  -10.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5470  -10.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2615   -9.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2615   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9759   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6904   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9759   -7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4049   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1194   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8339   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5483   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8339   -7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2628   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9773   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6917   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4062   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6917   -7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1207   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8352   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5497   -8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2642   -8.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5497   -7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 38  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0053429

> <DATABASE_NAME>
MIME

> <SMILES>
CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11-,25-15+,26-16+,31-17+,32-18+,35-21-,36-22+,37-27+,38-28+,39-29+,40-30+

> <INCHI_KEY>
OAIJSZIZWZSQBC-BOJOQWLHSA-N

> <FORMULA>
C40H56

> <MOLECULAR_WEIGHT>
536.8726

> <EXACT_MASS>
536.438201792

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
72.50914158500643

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6E,8E,10E,12E,14Z,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

> <ALOGPS_LOGP>
9.16

> <JCHEM_LOGP>
11.931831819333333

> <ALOGPS_LOGS>
-6.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
197.80600000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.97e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cis-y,y-carotene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAR-20         0                                  
HETATM    1  C   UNK     0       3.416 -17.923   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.749 -18.693   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.749 -20.233   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.083 -17.923   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.417 -18.693   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.750 -17.923   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.084 -18.693   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.418 -17.923   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.084 -20.233   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.752 -18.693   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.085 -17.923   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.419 -18.693   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.753 -17.923   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.419 -20.233   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      18.086 -18.693   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.420 -17.923   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.754 -18.693   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      22.087 -17.923   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      20.754 -20.233   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      23.421 -18.693   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      24.755 -17.923   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      24.755 -16.383   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      26.088 -15.613   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      27.422 -16.383   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      26.088 -14.073   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      28.756 -15.613   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      30.090 -16.383   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      31.423 -15.613   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      32.757 -16.383   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      31.423 -14.073   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      34.091 -15.613   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      35.424 -16.383   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      36.758 -15.613   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      38.092 -16.383   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      36.758 -14.073   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      39.425 -15.613   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      40.759 -16.383   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      42.093 -15.613   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      43.427 -16.383   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      42.093 -14.073   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7   10                                                       
CONECT    9    7                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12   15                                                       
CONECT   14   12                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17   20                                                       
CONECT   19   17                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23   26                                                       
CONECT   25   23                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28   31                                                       
CONECT   30   28                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33   36                                                       
CONECT   35   33                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   78    0
END

Synonyms

Not Available

Molecular Formula

C₄₀H₅₆

Average Mass

536.8726

Monoisotopic Mass

536.438201792

IUPAC Name

(6E,8E,10E,12E,14Z,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

Traditional Name

cis-y,y-carotene

CAS Registry Number

Not Available

SMILES

CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C

InChI Identifier

InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11-,25-15+,26-16+,31-17+,32-18+,35-21-,36-22+,37-27+,38-28+,39-29+,40-30+

InChI Key

OAIJSZIZWZSQBC-BOJOQWLHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Carotenes

Alternative Parents

Substituents

Carotene
Branched unsaturated hydrocarbon
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Acyclic olefin
Hydrocarbon
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.0004 g/L	ALOGPS
logP	9.16	ALOGPS
logP	11.93	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	197.81 m³·mol⁻¹	ChemAxon
Polarizability	72.51 Å³	ChemAxon
Number of Rings	0	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 GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-01b9-9111850000-7f5ee1d2f1f4dd233963	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0332490000-0b0a962c8950453b86bd	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0012-2968410000-4f1a540db8d7d208c2c3	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a59-4669500000-082667a84d3314035b24	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000i-0000090000-df24a8ea3a3b524558a0	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-0000090000-56300206b71be5a90759	2017-09-01	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-014i-1869480000-acc4c231a63d25786319	2017-09-01	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Adipose Tissue
Adrenal Gland
Blood
Breast Milk
Epidermis
Fibroblasts
Intestine
Kidney
Leukocyte
Liver
Pancreas
Platelet
Prostate
Spleen

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

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0015058	rhodopin	Lycopene	Acyclic carotenoid 1,2-hydratase	Hydration/dehydration of C-O bond	RHEA	34755880
MMDBr0015121	Lycopene	gamma-Carotene	Lycopene beta-cyclase	Cycle formation	RHEA	34755880
MMDBr0015122	Lycopene	gamma-Carotene	Lycopene beta-cyclase	Cycle formation	RHEA	34755880
MMDBr0016928	Lycopene	dihydroisopentenyldehydrorhodopin	C(50) beta-cyclic carotenoids biosynthesis protein LbtBC	Hydration/dehydration of C-O bond	RHEA	34755880
MMDBr0024507	15-cis-phytoene	Lycopene	Phytoene desaturase (lycopene-forming)	Desaturation	RHEA	34755880
MMDBr0024864	all-trans-zeta-carotene	Lycopene	All-trans-zeta-carotene desaturase	Desaturation	RHEA	34755880
MMDBr0025588	Water	diphosphate	Lycopene elongase/hydratase	Hydration/dehydration of C-O bond	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Diabetes mellitus type 1		Association	Human Blood	HMDB	16452910
Endometrial cancer	Decreased	Association	Human Blood	HMDB	19235557
Obesity	Slight Decrease	Association	Human Blood	HMDB	18997681
Obesity	Slight Decrease	Association	Human Blood	HMDB	17408529

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites
Bacteria	Proteobacteria	10	Human
Bacteria/NULL	Proteobacteria	2	Human
Archaea/Archaea	Euryarchaeota	4
Eukaryota/Fungi	Ascomycota	14	Human feces
Eukaryota/Fungi	Mucoromycota	3
Eukaryota/Fungi	Basidiomycota	11	Human feces
Bacteria	Cyanobacteria	1
Bacteria	Actinobacteria	2
Bacteria	Deinococcus-thermus	1
Bacteria	Bacteroidetes	1	Human

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
Human Blood	Detected and Quantified	0.560	0.290			uM	Adult (>18 years old)	Both	Type I diabetes	HMDB	16452910
Human Blood	Detected and Quantified	0.009		0.008	0.01	uM	Adult (>18 years old)	Female	Endometrial cancer	HMDB	19235557
Human Blood	Detected and Quantified	0.380	0.220			uM	Children (1 - 13 years old)	Not Specified	Obese	HMDB	18997681
Human Blood	Detected and Quantified	0.444	0.420			uM	Adult (>18 years old)	Not Specified	Obese	HMDB	17408529
Human Blood	Detected and Quantified	0.0705				uM	Adult (>18 years old)	Both	Normal	HMDB	19022967
Human Blood	Detected and Quantified	0.143				uM	Adult (>18 years old)	Both	Normal	HMDB	19022967
Human Blood	Detected and Quantified	0.159				uM	Adolescent (13-18 years old)	Male	Normal	HMDB	19602831
Human Blood	Detected and Quantified	0.169				uM	Adolescent (13-18 years old)	Female	Normal	HMDB	19602831
Human Blood	Detected and Quantified	0.177				uM	Children (1-13 years old)	Female	Normal	HMDB	19602831
Human Blood	Detected and Quantified	0.187				uM	Children (1-13 years old)	Male	Normal	HMDB	19602831
Human Blood	Detected and Quantified	0.263				uM	Adult (>18 years old)	Both	Normal	HMDB	19022967
Human Blood	Detected and Quantified	0.392				uM	Adult (>18 years old)	Both	Normal	HMDB	19248870
Human Blood	Detected and Quantified	0.402				uM	Adult (>18 years old)	Both	Normal	HMDB	19248870
Human Blood	Detected and Quantified	0.406				uM	Adult (>18 years old)	Both	Normal	HMDB	19022967
Human Blood	Detected and Quantified	0.5				uM	Adult (>18 years old)	Male	Normal	HMDB	19371448
Human Blood	Detected and Quantified	0.509				uM	Adult (>18 years old)	Female	Normal	HMDB	10573560
Human Blood	Detected and Quantified	0.51				uM	Adult (>18 years old)	Female	Normal	HMDB	19371448
Human Blood	Detected and Quantified	0.567				uM	Adult (>18 years old)	Both	Normal	HMDB	21272408
Human Blood	Detected and Quantified	0.57				uM	Adult (>18 years old)	Both	Normal	HMDB	21389177
Human Blood	Detected and Quantified	0.59				uM	Adult (>18 years old)	Both	Normal	HMDB	21389177
Human Blood	Detected and Quantified	0.6				uM	Adult (>18 years old)	Both	Normal	HMDB	21389177
Human Blood	Detected and Quantified	0.61				uM	Adult (>18 years old)	Female	Normal	HMDB	17116719
Human Blood	Detected and Quantified	0.61				uM	Adult (>18 years old)	Both	Normal	HMDB	21389177
Human Blood	Detected and Quantified	0.623				uM	Adult (>18 years old)	Both	Normal	HMDB	21272408
Human Blood	Detected and Quantified	0.64				uM	Adult (>18 years old)	Female	Normal	HMDB	10573560
Human Blood	Detected and Quantified	0.67				uM	Adult (>18 years old)	Male	Normal	HMDB	17116719
Human Blood	Detected and Quantified	0.68				uM	Adult (>18 years old)	Female	Normal	HMDB	10573560
Human Blood	Detected and Quantified	0.707				uM	Adult (>18 years old)	Female	Normal	HMDB	10573560
Human Blood	Detected and Quantified	0.71				uM	Adult (>18 years old)	Female	Normal	HMDB	16160701
Human Blood	Detected and Quantified	0.74				uM	Adult (>18 years old)	Male	Normal	HMDB	16160701
Human Blood	Detected and Quantified	0.76				uM	Adult (>18 years old)	Female	Normal	HMDB	10573560
Human Blood	Detected and Quantified	0.771				uM	Adult (>18 years old)	Female	Normal	HMDB	20332276
Human Blood	Detected and Quantified	0.87				uM	Adult (>18 years old)	Female	Normal	HMDB	10573560
Human Blood	Detected and Quantified	1.24				uM	Adult (>18 years old)	Female	Normal	HMDB	18053294
Human Blood	Detected and Quantified	1.44				uM	Adult (>18 years old)	Male	Normal	HMDB	18053294
Human Blood	Detected and Quantified	0.01		0.008	0.014	uM	Adult (>18 years old)	Female	Normal	HMDB	19235557
Human Blood	Detected and Quantified	0.170	0.120			uM	Adult (>18 years old)	Both	Normal	HMDB	15483635
Human Blood	Detected and Quantified	0.248	0.121			uM	Adult (>18 years old)	Female	Normal	HMDB	8785214
Human Blood	Detected and Quantified	0.260	0.110			uM	Adult (>18 years old)	Female	Normal	HMDB	15105183
Human Blood	Detected and Quantified	0.266	0.127			uM	Adult (>18 years old)	Female	Normal	HMDB	8785214
Human Blood	Detected and Quantified	0.280	0.110			uM	Adult (>18 years old)	Female	Normal	HMDB	15105183
Human Blood	Detected and Quantified	0.320	0.120			uM	Adult (>18 years old)	Female	Normal	HMDB	8785214
Human Blood	Detected and Quantified	0.330	0.230			uM	Adult (>18 years old)	Female	Normal	HMDB	15051849
Human Blood	Detected and Quantified	0.335	0.164			uM	Adult (>18 years old)	Both	Normal	HMDB	11117617
Human Blood	Detected and Quantified	0.34	0.12			uM	Adult (>18 years old)	Both	Normal	HMDB	15705230
Human Blood	Detected and Quantified	0.350	0.250			uM	Adult (>18 years old)	Female	Normal	HMDB	15051849
Human Blood	Detected and Quantified	0.360	0.240			uM	Adult (>18 years old)	Both	Normal	HMDB	15051849
Human Blood	Detected and Quantified	0.374	0.139			uM	Adult (>18 years old)	Female	Normal	HMDB	8785214
Human Blood	Detected and Quantified	0.394	0.202			uM	Adult (>18 years old)	Female	Normal	HMDB	8785214
Human Blood	Detected and Quantified	0.400	0.280			uM	Adult (>18 years old)	Both	Normal	HMDB	15051849
Human Blood	Detected and Quantified	0.420	0.280			uM	Adult (>18 years old)	Both	Normal	HMDB	15051849
Human Blood	Detected and Quantified	0.420	0.320			uM	Adult (>18 years old)	Both	Normal	HMDB	15051849
Human Blood	Detected and Quantified	0.434	0.186			uM	Adult (>18 years old)	Female	Normal	HMDB	18813024
Human Blood	Detected and Quantified	0.440	0.280			uM	Adult (>18 years old)	Male	Normal	HMDB	15051849
Human Blood	Detected and Quantified	0.474	0.560			uM	Adult (>18 years old)	Male	Normal	HMDB	17408529
Human Blood	Detected and Quantified	0.501	0.338			uM	Adult (>18 years old)	Male	Normal	HMDB	11522560
Human Blood	Detected and Quantified	0.505	0.183			uM	Adult (>18 years old)	Male	Normal	HMDB	9126539
Human Blood	Detected and Quantified	0.510	0.340			uM	Adult (>18 years old)	Male	Normal	HMDB	15051849
Human Blood	Detected and Quantified	0.52	0.17			uM	Adult (>18 years old)	Both	Normal	HMDB	15705230
Human Blood	Detected and Quantified	0.527	0.237			uM	Adult (>18 years old)	Female	Normal	HMDB	10427874
Human Blood	Detected and Quantified	0.531	0.237			uM	Adult (>18 years old)	Female	Normal	HMDB	20061366
Human Blood	Detected and Quantified	0.563	0.231			uM	Adult (>18 years old)	Female	Normal	HMDB	18813024
Human Blood	Detected and Quantified	0.574	0.264			uM	Adult (>18 years old)	Both	Normal	HMDB	9126539
Human Blood	Detected and Quantified	0.576	0.309			uM	Adult (>18 years old)	Both	Normal	HMDB	9126539
Human Blood	Detected and Quantified	0.577	0.322			uM	Adult (>18 years old)	Both	Normal	HMDB	9126539
Human Blood	Detected and Quantified	0.579	0.253			uM	Adult (>18 years old)	Male	Normal	HMDB	20061366
Human Blood	Detected and Quantified	0.580	0.310			uM	Adult (>18 years old)	Male	Normal	HMDB	8922299
Human Blood	Detected and Quantified	0.585	0.338			uM	Adult (>18 years old)	Female	Normal	HMDB	11522560
Human Blood	Detected and Quantified	0.590	0.220			uM	Adolescent (13-18 years old)	Female	Normal	HMDB	12368412
Human Blood	Detected and Quantified	0.600	0.360			uM	Adult (>18 years old)	Female	Normal	HMDB	8922299
Human Blood	Detected and Quantified	0.610	0.240			uM	Adolescent (13-18 years old)	Male	Normal	HMDB	12368412
Human Blood	Detected and Quantified	0.610	0.360			uM	Adult (>18 years old)	Female	Normal	HMDB	10024624
Human Blood	Detected and Quantified	0.620	0.308			uM	Adult (>18 years old)	Male	Normal	HMDB	15054421
Human Blood	Detected and Quantified	0.622	0.320			uM	Adult (>18 years old)	Male	Normal	HMDB	20061366
Human Blood	Detected and Quantified	0.630	0.276			uM	Adult (>18 years old)	Male	Normal	HMDB	20061366
Human Blood	Detected and Quantified	0.630	0.280			uM	Adult (>18 years old)	Both	Normal	HMDB	8922299
Human Blood	Detected and Quantified	0.631	0.371			uM	Adult (>18 years old)	Female	Normal	HMDB	9126539
Human Blood	Detected and Quantified	0.640	0.260			uM	Adult (>18 years old)	Female	Normal	HMDB	8922299
Human Blood	Detected and Quantified	0.640	0.380			uM	Adult (>18 years old)	Male	Normal	HMDB	10024624
Human Blood	Detected and Quantified	0.656	0.0100			uM	Adult (>18 years old)	Female	Normal	HMDB	18300693
Human Blood	Detected and Quantified	0.658	0.341			uM	Adult (>18 years old)	Female	Normal	HMDB	15054421
Human Blood	Detected and Quantified	0.660	0.270			uM	Adult (>18 years old)	Male	Normal	HMDB	8922299
Human Blood	Detected and Quantified	0.695	0.274			uM	Adult (>18 years old)	Both	Normal	HMDB	8000300
Human Blood	Detected and Quantified	0.696	0.342			uM	Adult (>18 years old)	Both	Normal	HMDB	16755268
Human Blood	Detected and Quantified	0.703	0.860			uM	Adult (>18 years old)	Female	Normal	HMDB	17408529
Human Blood	Detected and Quantified	0.730	0.400			uM	Children (1 - 13 years old)	Not Specified	Normal	HMDB	18997681
Human Blood	Detected and Quantified	0.743	0.168			uM	Adult (>18 years old)	Female	Normal	HMDB	12792623
Human Blood	Detected and Quantified	0.746	0.379			uM	Adult (>18 years old)	Male	Normal	HMDB	15946415
Human Blood	Detected and Quantified	0.760	0.320			uM	Adult (>18 years old)	Female	Normal	HMDB	1512628
Human Blood	Detected and Quantified	0.820	0.380			uM	Adult (>18 years old)	Male	Normal	HMDB	1512628
Human Blood	Detected and Quantified	0.926	0.270			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	17408529
Human Blood	Detected and Quantified	1.340	0.750			uM	Adult (>18 years old)	Both	Normal	HMDB	16465196
Human Blood	Detected and Quantified	1.560	0.640			uM	Adult (>18 years old)	Both	Normal	HMDB	16465196
Human Blood	Detected and Quantified	1060	410			uM	Adult (>18 years old)	Male	Normal	HMDB	8379507
Human Blood	Detected and Quantified	204.884	93.129			uM	Adult (>18 years old)	Male	Normal	HMDB	21346713
Human Blood	Detected and Quantified	242.136	111.755			uM	Adult (>18 years old)	Female	Normal	HMDB	21346713
Human Blood	Detected and Quantified	580	240			uM	Adult (>18 years old)	Female	Normal	HMDB	8030600
Human Blood	Detected and Quantified	759.376	318.688			uM	Adult (>18 years old)	Female	Normal	HMDB	9568782
Human Blood	Detected and Quantified	817.675	375.684			uM	Adult (>18 years old)	Male	Normal	HMDB	9568782
Human Blood	Detected and Quantified	930	350			uM	Adult (>18 years old)	Male	Normal	HMDB	8379507
Human Adipose tissue	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal gland	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Epidermis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Intestine	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Leukocyte	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Pancreas	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Spleen	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Breast milk	Detected but not Quantified						Adult (>18 years old)	Female	Normal	HMDB	9164160

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

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Lycopene

METLIN ID

Not Available

PubChem Compound

53477748

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Stahl W, Schwarz W, Sundquist AR, Sies H: cis-trans isomers of lycopene and beta-carotene in human serum and tissues. Arch Biochem Biophys. 1992 Apr;294(1):173-7. doi: 10.1016/0003-9861(92)90153-n. [PubMed:1550343 ]
Ribaya-Mercado JD, Garmyn M, Gilchrest BA, Russell RM: Skin lycopene is destroyed preferentially over beta-carotene during ultraviolet irradiation in humans. J Nutr. 1995 Jul;125(7):1854-9. doi: 10.1093/jn/125.7.1854. [PubMed:7616301 ]
Gerster H: The potential role of lycopene for human health. J Am Coll Nutr. 1997 Apr;16(2):109-26. doi: 10.1080/07315724.1997.10718661. [PubMed:9100211 ]
Bohm V, Bitsch R: Intestinal absorption of lycopene from different matrices and interactions to other carotenoids, the lipid status, and the antioxidant capacity of human plasma. Eur J Nutr. 1999 Jun;38(3):118-25. doi: 10.1007/s003940050052. [PubMed:10443333 ]
Sengupta A, Das S: The anti-carcinogenic role of lycopene, abundantly present in tomato. Eur J Cancer Prev. 1999 Aug;8(4):325-30. doi: 10.1097/00008469-199908000-00009. [PubMed:10493308 ]
Stahl W, von Laar J, Martin HD, Emmerich T, Sies H: Stimulation of gap junctional communication: comparison of acyclo-retinoic acid and lycopene. Arch Biochem Biophys. 2000 Jan 1;373(1):271-4. doi: 10.1006/abbi.1999.1510. [PubMed:10620348 ]
Porrini M, Riso P: Lymphocyte lycopene concentration and DNA protection from oxidative damage is increased in women after a short period of tomato consumption. J Nutr. 2000 Feb;130(2):189-92. doi: 10.1093/jn/130.2.189. [PubMed:10720168 ]
Arab L, Steck S: Lycopene and cardiovascular disease. Am J Clin Nutr. 2000 Jun;71(6 Suppl):1691S-5S; discussion 1696S-7S. doi: 10.1093/ajcn/71.6.1691S. [PubMed:10837319 ]
Yeh S, Hu M: Antioxidant and pro-oxidant effects of lycopene in comparison with beta-carotene on oxidant-induced damage in Hs68 cells. J Nutr Biochem. 2000 Nov;11(11-12):548-554. doi: 10.1016/s0955-2863(00)00117-0. [PubMed:11137891 ]
Stahl W, Sies H: Carotenoids and protection against solar UV radiation. Skin Pharmacol Appl Skin Physiol. 2002 Sep-Oct;15(5):291-6. doi: 10.1159/000064532. [PubMed:12239422 ]
Michael McClain R, Bausch J: Summary of safety studies conducted with synthetic lycopene. Regul Toxicol Pharmacol. 2003 Apr;37(2):274-85. doi: 10.1016/s0273-2300(03)00004-7. [PubMed:12726756 ]
Kravchenko LV, Morozov SV, Beketova NA, Deryagina VP, Avren'eva LI, Tutel'yan VA: Antioxidant status of rats receiving lycopene in different doses. Bull Exp Biol Med. 2003 Apr;135(4):353-7. doi: 10.1023/a:1024608730471. [PubMed:12910307 ]
Walfisch Y, Walfisch S, Agbaria R, Levy J, Sharoni Y: Lycopene in serum, skin and adipose tissues after tomato-oleoresin supplementation in patients undergoing haemorrhoidectomy or peri-anal fistulotomy. Br J Nutr. 2003 Oct;90(4):759-66. doi: 10.1079/bjn2003955. [PubMed:13129444 ]
Riso P, Visioli F, Erba D, Testolin G, Porrini M: Lycopene and vitamin C concentrations increase in plasma and lymphocytes after tomato intake. Effects on cellular antioxidant protection. Eur J Clin Nutr. 2004 Oct;58(10):1350-8. doi: 10.1038/sj.ejcn.1601974. [PubMed:15054415 ]
Ermakov IV, Ermakova MR, Gellermann W, Lademann J: Noninvasive selective detection of lycopene and beta-carotene in human skin using Raman spectroscopy. J Biomed Opt. 2004 Mar-Apr;9(2):332-8. doi: 10.1117/1.1646172. [PubMed:15065899 ]
Aust O, Stahl W, Sies H, Tronnier H, Heinrich U: Supplementation with tomato-based products increases lycopene, phytofluene, and phytoene levels in human serum and protects against UV-light-induced erythema. Int J Vitam Nutr Res. 2005 Jan;75(1):54-60. doi: 10.1024/0300-9831.75.1.54. [PubMed:15830922 ]
Hsiao G, Wang Y, Tzu NH, Fong TH, Shen MY, Lin KH, Chou DS, Sheu JR: Inhibitory effects of lycopene on in vitro platelet activation and in vivo prevention of thrombus formation. J Lab Clin Med. 2005 Oct;146(4):216-26. doi: 10.1016/j.lab.2005.03.018. [PubMed:16194683 ]
Zaripheh S, Nara TY, Nakamura MT, Erdman JW Jr: Dietary lycopene downregulates carotenoid 15,15'-monooxygenase and PPAR-gamma in selected rat tissues. J Nutr. 2006 Apr;136(4):932-8. doi: 10.1093/jn/136.4.932. [PubMed:16549453 ]

Showing metabocard for Lycopene (MMDBc0053429)

MOL for #<Metabolite:0x00007fa4db6efed8>

3D MOL for #<Metabolite:0x00007fa4db6efed8>

3D SDF for #<Metabolite:0x00007fa4db6efed8>

3D-SDF for #<Metabolite:0x00007fa4db6efed8>

PDB for #<Metabolite:0x00007fa4db6efed8>

3D PDB for #<Metabolite:0x00007fa4db6efed8>

SMILES for #<Metabolite:0x00007fa4db6efed8>

INCHI for #<Metabolite:0x00007fa4db6efed8>

Structure for #<Metabolite:0x00007fa4db6efed8>

3D Structure for #<Metabolite:0x00007fa4db6efed8>