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

2022-12-15 22:52:21 UTC

MiMeDB 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

Chemical Formula

C₄₀H₅₆

Average Molecular Weight

536.8726

Monoisotopic Molecular Weight

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

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Reference
Diabetes mellitus type 1		This associated disease is originally imported from HMDB metabolite HMDB0003000 concentration id 128160	Association	Human Blood	16452910	details
Endometrial cancer	Decreased	This associated disease is originally imported from HMDB metabolite HMDB0003000 concentration id 58783	Association	Human Blood	19235557	details
Obesity	Slight Decrease	This associated disease is originally imported from HMDB metabolite HMDB0003000 concentration id 128202	Association	Human Blood	18997681	details
Obesity	Slight Decrease	This associated disease is originally imported from HMDB metabolite HMDB0003000 concentration id 128136	Association	Human Blood	17408529	details

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites
	Proteobacteria	10	Human
NULL	Proteobacteria	2
Archaea	Euryarchaeota	4
Fungi	Ascomycota	14	Human Feces
Fungi	Mucoromycota	3
Fungi	Basidiomycota	11	Human Feces
	Cyanobacteria	1
	Actinobacteria	2
	Deinococcus-Thermus	1
	Bacteroidetes	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

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

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:0x00007f4589625630>

3D MOL for #<Metabolite:0x00007f4589625630>

3D SDF for #<Metabolite:0x00007f4589625630>

3D-SDF for #<Metabolite:0x00007f4589625630>

PDB for #<Metabolite:0x00007f4589625630>

3D PDB for #<Metabolite:0x00007f4589625630>

SMILES for #<Metabolite:0x00007f4589625630>

INCHI for #<Metabolite:0x00007f4589625630>

Structure for #<Metabolite:0x00007f4589625630>

3D Structure for #<Metabolite:0x00007f4589625630>