MiMeDB: Showing metabocard for Dodecanoic acid (MMDBc0000532)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:39:54 UTC

Update Date

2024-09-28 00:15:32 UTC

Metabolite ID

MMDBc0000532

Metabolite Identification

Common Name

Dodecanoic acid

Description

Dodecanoic acid, also known as dodecanoate or lauric acid, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Dodecanoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Dodecanoic acid is the main fatty acid in coconut oil and in palm kernel oil, and is believed to have antimicrobial properties. It is a white, powdery solid with a faint odour of bay oil. Dodecanoic acid, although slightly irritating to mucous membranes, has a very low toxicity and so is used in many soaps and shampoos.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0000638
     RDKit          3D
Dodecanoic acid
 38 37  0  0  0  0  0  0  0  0999 V2000
   -4.3022    0.8750   -1.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9507    0.2682   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2415   -0.8960    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -0.6543    1.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8781   -0.1594    0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5019    0.0059    0.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222    0.5124   -0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260    0.7320    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244   -0.5487    0.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105   -0.2690    1.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7428    0.2576    0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9341   -0.6556   -0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3784   -1.7578   -0.9642 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7648   -0.2695   -1.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    1.9231   -1.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5899    0.2317   -1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1354    1.0422   -2.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0277   -0.0323   -0.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0683    1.0649    0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8713   -1.3570    1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1649   -1.7130   -0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5091   -1.5760    1.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0045    0.1576    1.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0778    0.9014   -0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916   -0.7476   -0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -0.9636    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5617    0.7640    1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4040   -0.2523   -1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027    1.4786   -0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4679    1.0547   -0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7424    1.4952    1.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360   -1.3846    0.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7845   -0.8181    1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1919   -1.2263    1.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124    0.4514    2.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489    1.2355   -0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7519    0.3622    0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4509    0.4674   -1.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 14 38  1  0
M  END

HMDB0000638
     RDKit          3D
Dodecanoic acid
 38 37  0  0  0  0  0  0  0  0999 V2000
   -4.3022    0.8750   -1.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9507    0.2682   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2415   -0.8960    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -0.6543    1.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8781   -0.1594    0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5019    0.0059    0.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222    0.5124   -0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260    0.7320    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244   -0.5487    0.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105   -0.2690    1.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7428    0.2576    0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9341   -0.6556   -0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3784   -1.7578   -0.9642 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7648   -0.2695   -1.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    1.9231   -1.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5899    0.2317   -1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1354    1.0422   -2.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0277   -0.0323   -0.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0683    1.0649    0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8713   -1.3570    1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1649   -1.7130   -0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5091   -1.5760    1.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0045    0.1576    1.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0778    0.9014   -0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916   -0.7476   -0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -0.9636    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5617    0.7640    1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4040   -0.2523   -1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027    1.4786   -0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4679    1.0547   -0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7424    1.4952    1.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360   -1.3846    0.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7845   -0.8181    1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1919   -1.2263    1.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124    0.4514    2.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489    1.2355   -0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7519    0.3622    0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4509    0.4674   -1.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 14 38  1  0
M  END

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0       5.962  -0.326   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.628   0.444   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.295  -0.326   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.961   0.444   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.627  -0.326   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.706   0.444   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.040  -0.326   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.374   0.444   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.708  -0.326   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.041   0.444   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -7.375  -0.326   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -8.709   0.444   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0     -10.043  -0.326   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -8.709   1.984   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   14   13                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

COMPND    HMDB0000638
HETATM    1  C1  UNL     1      -4.302   0.875  -1.324  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.951   0.268  -0.137  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.242  -0.896   0.470  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.895  -0.654   1.044  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.878  -0.159   0.094  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.502   0.006   0.794  1.00  0.00           C  
HETATM    7  C7  UNL     1       0.422   0.512  -0.294  1.00  0.00           C  
HETATM    8  C8  UNL     1       1.826   0.732   0.232  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.424  -0.549   0.773  1.00  0.00           C  
HETATM   10  C10 UNL     1       3.811  -0.269   1.274  1.00  0.00           C  
HETATM   11  C11 UNL     1       4.743   0.258   0.216  1.00  0.00           C  
HETATM   12  C12 UNL     1       4.934  -0.656  -0.912  1.00  0.00           C  
HETATM   13  O1  UNL     1       4.378  -1.758  -0.964  1.00  0.00           O  
HETATM   14  O2  UNL     1       5.765  -0.270  -1.951  1.00  0.00           O  
HETATM   15  H1  UNL     1      -3.928   1.923  -1.165  1.00  0.00           H  
HETATM   16  H2  UNL     1      -3.590   0.232  -1.863  1.00  0.00           H  
HETATM   17  H3  UNL     1      -5.135   1.042  -2.096  1.00  0.00           H  
HETATM   18  H4  UNL     1      -6.028  -0.032  -0.338  1.00  0.00           H  
HETATM   19  H5  UNL     1      -5.068   1.065   0.645  1.00  0.00           H  
HETATM   20  H6  UNL     1      -4.871  -1.357   1.298  1.00  0.00           H  
HETATM   21  H7  UNL     1      -4.165  -1.713  -0.331  1.00  0.00           H  
HETATM   22  H8  UNL     1      -2.509  -1.576   1.575  1.00  0.00           H  
HETATM   23  H9  UNL     1      -3.004   0.158   1.838  1.00  0.00           H  
HETATM   24  H10 UNL     1      -2.078   0.901  -0.240  1.00  0.00           H  
HETATM   25  H11 UNL     1      -1.692  -0.748  -0.804  1.00  0.00           H  
HETATM   26  H12 UNL     1      -0.191  -0.964   1.219  1.00  0.00           H  
HETATM   27  H13 UNL     1      -0.562   0.764   1.590  1.00  0.00           H  
HETATM   28  H14 UNL     1       0.404  -0.252  -1.097  1.00  0.00           H  
HETATM   29  H15 UNL     1      -0.003   1.479  -0.635  1.00  0.00           H  
HETATM   30  H16 UNL     1       2.468   1.055  -0.605  1.00  0.00           H  
HETATM   31  H17 UNL     1       1.742   1.495   1.031  1.00  0.00           H  
HETATM   32  H18 UNL     1       2.336  -1.385   0.078  1.00  0.00           H  
HETATM   33  H19 UNL     1       1.784  -0.818   1.662  1.00  0.00           H  
HETATM   34  H20 UNL     1       4.192  -1.226   1.709  1.00  0.00           H  
HETATM   35  H21 UNL     1       3.712   0.451   2.112  1.00  0.00           H  
HETATM   36  H22 UNL     1       4.449   1.235  -0.168  1.00  0.00           H  
HETATM   37  H23 UNL     1       5.752   0.362   0.715  1.00  0.00           H  
HETATM   38  H24 UNL     1       6.451   0.467  -1.824  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3   18   19
CONECT    3    4   20   21
CONECT    4    5   22   23
CONECT    5    6   24   25
CONECT    6    7   26   27
CONECT    7    8   28   29
CONECT    8    9   30   31
CONECT    9   10   32   33
CONECT   10   11   34   35
CONECT   11   12   36   37
CONECT   12   13   13   14
CONECT   14   38
END

HMDB0000638
     RDKit          3D
Dodecanoic acid
 38 37  0  0  0  0  0  0  0  0999 V2000
   -4.3022    0.8750   -1.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9507    0.2682   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2415   -0.8960    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -0.6543    1.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8781   -0.1594    0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5019    0.0059    0.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222    0.5124   -0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260    0.7320    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244   -0.5487    0.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105   -0.2690    1.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7428    0.2576    0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9341   -0.6556   -0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3784   -1.7578   -0.9642 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7648   -0.2695   -1.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    1.9231   -1.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5899    0.2317   -1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1354    1.0422   -2.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0277   -0.0323   -0.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0683    1.0649    0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8713   -1.3570    1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1649   -1.7130   -0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5091   -1.5760    1.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0045    0.1576    1.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0778    0.9014   -0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916   -0.7476   -0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -0.9636    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5617    0.7640    1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4040   -0.2523   -1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027    1.4786   -0.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4679    1.0547   -0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7424    1.4952    1.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360   -1.3846    0.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7845   -0.8181    1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1919   -1.2263    1.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124    0.4514    2.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489    1.2355   -0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7519    0.3622    0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4509    0.4674   -1.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 14 38  1  0
M  END

Synonyms

Value	Source
1-Undecanecarboxylic acid	ChEBI
ABL	ChEBI
C12 Fatty acid	ChEBI
C12:0	ChEBI
CH3-[CH2]10-COOH	ChEBI
Coconut oil fatty acids	ChEBI
DAO	ChEBI
Dodecoic acid	ChEBI
Dodecylcarboxylate	ChEBI
Dodecylic acid	ChEBI
Duodecyclic acid	ChEBI
Duodecylic acid	ChEBI
Lauric acid	ChEBI
Laurinsaeure	ChEBI
Laurostearic acid	ChEBI
N-Dodecanoic acid	ChEBI
Undecane-1-carboxylic acid	ChEBI
Vulvic acid	ChEBI
Dodecanoate	Kegg
1-Undecanecarboxylate	Generator
Dodecoate	Generator
Dodecylcarboxylic acid	Generator
Dodecylate	Generator
Duodecyclate	Generator
Duodecylate	Generator
Laate	Generator
Laic acid	Generator
Laurostearate	Generator
N-Dodecanoate	Generator
Undecane-1-carboxylate	Generator
Vulvate	Generator
Aliphat no. 4	HMDB
Edenor C 1298-100	HMDB
Emery 651	HMDB
Hystrene 9512	HMDB
Kortacid 1299	HMDB
Laurate	HMDB
Lunac L 70	HMDB
Lunac L 98	HMDB
Neo-fat 12	HMDB
Neo-fat 12-43	HMDB
Nissan naa 122	HMDB
Philacid 1200	HMDB
Prifac 2920	HMDB
Univol u 314	HMDB
1-Dodecanoic acid	HMDB
FA(12:0)	HMDB
Dodecanoic acid	PhytoBank

Molecular Formula

C₁₂H₂₄O₂

Average Mass

200.3178

Monoisotopic Mass

200.177630012

IUPAC Name

dodecanoic acid

Traditional Name

lauric acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)

InChI Key

POULHZVOKOAJMA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-chain fatty acids

Alternative Parents

Substituents

Medium-chain fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

medium-chain fatty acid (CHEBI:30805 )
straight-chain saturated fatty acid (CHEBI:30805 )
Straight chain fatty acids (C02679 )
Saturated fatty acids (C02679 )
Straight chain fatty acids (LMFA01010012 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.01 g/L	ALOGPS
logP	5.13	ALOGPS
logP	4.48	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	4.95	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	58.68 m³·mol⁻¹	ChemAxon
Polarizability	25.85 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Epidermis
Feces
Liver
Prostate
Saliva
Sweat
Thyroid Gland
Urine

Tissue Locations

Epidermis
Liver
Prostate
Thyroid Gland

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191745	Phospholipase A2, membrane associated	Unknown	P14555	Homo sapiens
MMDBp0191746	Group IID secretory phospholipase A2	Unknown	Q9UNK4	Homo sapiens
MMDBp0191977	Peroxisomal carnitine O-octanoyltransferase	Enzyme	Q9UKG9	Homo sapiens
MMDBp0191981	Carnitine O-palmitoyltransferase 2, mitochondrial	Enzyme	P23786	Homo sapiens
MMDBp0192400	Alcohol dehydrogenase class-3	Unknown	P11766	Homo sapiens
MMDBp0193223	Ganglioside GM2 activator	Enzyme	P17900	Homo sapiens
MMDBp0193376	Lactotransferrin	Unknown	P02788	Homo sapiens
MMDBp0193620	Toll-like receptor 4	Enzyme	O00206	Homo sapiens
MMDBp0193677	Mitochondrial carnitine/acylcarnitine carrier protein	Enzyme	O43772	Homo sapiens
MMDBp0196566	Glycolipid transfer protein	Unknown	Q9NZD2	Homo sapiens
MMDBp0196664	S-acyl fatty acid synthase thioesterase, medium chain	Enzyme	Q9NV23	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018699	Dodecanoic acid	Lauroyl-CoA	Medium-chain fatty-acid--CoA ligase	Ligation	PathBank	31602464
MMDBr0019697	trans-Dodec-2-enoic acid	Dodecanoic acid	Unknown Protein		PathBank	31602464
MMDBr0019698	Malonic acid	3-Oxotetradecanoic acid	Unknown Protein		PathBank	31602464
MMDBr0038336	PE(10:0/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038347	PE(12:0/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038358	PE(14:0/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038361	PE(15:0/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038364	PE(16:0/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038368	PE(16:1(9Z)/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038370	PE(17:0cycw7c/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038372	PE(18:0/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038375	PE(18:1(11Z)/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038377	PE(19:1(12Z)/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038379	PE(19:0cycw8c/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038384	PE(10:0(3-OH)/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038402	PE(12:0(3-OH)/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038420	PE(14:0(3-OH)/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038466	PE(19:iso/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038509	PE(18:1(9Z)/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038549	PE(19:1(9Z)/12:0)	Dodecanoic acid	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0038942	Dodecanoic acid	N-(Dodecanoyl)-4R-hydroxysphinganine	Alkaline ceramidase YPC1	Hydrolysis	RHEA	34755880
MMDBr0039045	PS(16:0/12:0)	1-(9Z-octadecenoyl)-sn-glycero-3-phospho-L-serine	Lipid droplet phospholipase 1	Hydrolysis	RHEA	34755880
MMDBr0039061	Dodecanoic acid	Lauroyl-CoA	Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (FACL) (EC 6.2.1.2) (EC 6.2.1.3) (EC 6.2.1.42) (Acyl-CoA synthetase) (FACL19) (Steroid-CoA ligase) (Steroid-coenzyme A ligase)	Hydrolysis; Ligation	RHEA	34755880
MMDBr0039325	DG(12:0/10:0(3-OH)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039326	DG(12:0/10:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039327	DG(12:0/12:0(3-OH)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039328	DG(12:0/12:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039329	DG(12:0/14:0(3-OH)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039330	DG(12:0/14:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039331	DG(12:0/14:1(11Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039332	DG(12:0/14:1(9Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039333	DG(12:0/15:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039334	DG(12:0/15:1(11Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039335	DG(12:0/15:1(9Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039336	DG(12:0/16:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039337	DG(12:0/16:1(11Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039338	DG(12:0/16:1(9Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039339	DG(12:0/17:0cycw7c/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039340	DG(12:0/18:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039341	DG(12:0/18:1(11Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039342	DG(12:0/18:1(9Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039343	DG(12:0/19:1(9Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039344	DG(12:0/19:iso/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039345	DG(12:0/20:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039346	DG(12:0/20:1(11Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039347	DG(12:0/20:1(13Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039348	DG(12:0/22:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039349	DG(12:0/22:1(11Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039350	DG(12:0/22:1(9Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039351	DG(12:0/23:1(11Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039352	DG(12:0/23:1(9Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039353	DG(12:0/24:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039354	DG(12:0/24:1(11Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039355	DG(12:0/24:1(9Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039356	DG(12:0/26:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039357	DG(12:0/26:1(11Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039358	DG(12:0/26:1(9Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039359	DG(12:0/28:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039360	DG(12:0/28:1(11Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039361	DG(12:0/28:1(9Z)/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039362	DG(12:0/30:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039363	DG(17:0cycw7c/12:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880
MMDBr0039364	DG(19:iso/12:0/0:0)	Dodecanoic acid	Carboxylesterase Culp1	Hydrolysis	RHEA	34755880

Health Effects and Bioactivity

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Firmicutes	411	Human stool; Human feces; Human pleural fluid plaque; Pig ; Human ; Human urine; Human mucosa; Human sputum; Human saliva; Human supragingival plaque; Cattle ; Human subgingival plaque	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	218	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal	Metabolic reconstruction
Bacteria	Actinobacteria	15	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	138	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	2	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	169	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	31	Human stool; Human feces; Human pleural fluid plaque; Pig ; Human ; Human urine; Human mucosa; Human sputum; Human saliva; Human supragingival plaque; Cattle ; Human subgingival plaque	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Proteobacteria	8	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	2	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	2		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	25	Human feces; Human	Metabolic reconstruction
Bacteria	Candidatus melainabacteria	2	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	2		Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Food Exposures

Source Type	Source Sub-type	Source Name	Data Source	Reference
Animal	Not Available	Agar	FooDB	DTU
Animal	Not Available	Anguilliformes	FooDB	DTU
Animal	Not Available	Atlantic halibut	FooDB	DTU
Animal	Not Available	Atlantic salmon	FooDB	34893796
Animal	Not Available	Atlantic wolffish	FooDB	DTU
Animal	Not Available	Burbot	FooDB	DTU
Animal	Not Available	Carp bream	FooDB	DTU
Animal	Not Available	Channel catfish	FooDB	34893796
Animal	Not Available	Charr	FooDB	DTU
Animal	Not Available	Chicken	FooDB	DTU
Animal	Not Available	Chinook salmon	FooDB	34893796
Animal	Not Available	Chum salmon	FooDB	34893796
Animal	Not Available	Cichlidae (tilapia)	FooDB	34893796
Animal	Not Available	Clawed lobster	FooDB	DTU
Animal	Not Available	Clupeinae (herring, sardine, sprat)	FooDB	DTU
Animal	Not Available	Coho salmon	FooDB	34893796
Animal	Not Available	Common dab	FooDB	DTU
Animal	Not Available	Common octopus	FooDB	DTU
Animal	Not Available	Conch	FooDB	34893796
Animal	Not Available	Cow	FooDB	34893796
Animal	Not Available	Crab	FooDB	DTU
Animal	Not Available	Crayfish	FooDB	DTU
Animal	Not Available	Domestic goat	FooDB	34893796
Animal	Not Available	Dungeness crab	FooDB	34893796
Animal	Not Available	Eastern oyster	FooDB	34893796
Animal	Not Available	Flatfish	FooDB	DTU
Animal	Not Available	Gadiformes	FooDB	DTU
Animal	Not Available	Gadus (common cod)	FooDB	DTU
Animal	Not Available	Garfish	FooDB	DTU
Animal	Not Available	Greenland halibut/turbot	FooDB	DTU
Animal	Not Available	Haddock	FooDB	DTU
Animal	Not Available	Hippoglossus (common halibut)	FooDB	34893796
Animal	Not Available	Kombu	FooDB	DTU
Animal	Not Available	Lake trout	FooDB	DTU
Animal	Not Available	Lemon sole	FooDB	DTU
Animal	Not Available	Lumpsucker	FooDB	DTU
Animal	Not Available	Marine mussel	FooDB	DTU
Animal	Not Available	Mountain hare	FooDB	DTU
Animal	Not Available	Northern pike	FooDB	DTU
Animal	Not Available	Norway lobster	FooDB	DTU
Animal	Not Available	Norway pout	FooDB	DTU
Animal	Not Available	Orange roughy	FooDB	34893796
Animal	Not Available	Pacific ocean perch	FooDB	DTU
Animal	Not Available	Pacific oyster	FooDB	34893796
Animal	Not Available	Perciformes	FooDB	DTU
Animal	Not Available	Pig	FooDB	34893796
Animal	Not Available	Pikeperch	FooDB	DTU
Animal	Not Available	Pleuronectidae (dab, halibut, plaice)	FooDB	DTU
Animal	Not Available	Pollock	FooDB	DTU
Animal	Not Available	Quail	FooDB	34893796
Animal	Not Available	Rainbow trout	FooDB	DTU
Animal	Not Available	Salmonidae (salmon, trout)	FooDB	DTU
Animal	Not Available	Scallop	FooDB	34893796
Animal	Not Available	Scombridae (bonito, mackerel, tuna)	FooDB	DTU
Animal	Not Available	Sheefish	FooDB	34893796
Animal	Not Available	Shrimp	FooDB	DTU
Animal	Not Available	Smelt	FooDB	34893796
Animal	Not Available	Snail	FooDB	DTU
Animal	Not Available	Sockeye salmon	FooDB	34893796
Animal	Not Available	Spiny dogfish	FooDB	DTU
Animal	Not Available	Squab	FooDB	34893796
Animal	Not Available	Sturgeon	FooDB	DTU
Animal	Not Available	Thunnus	FooDB	DTU
Animal	Not Available	Turbot	FooDB	DTU
Animal	Not Available	Whitefish	FooDB	DTU
Animal	Not Available	Whiting	FooDB	DTU
Animal	Not Available	Yellowfin tuna	FooDB	34893796
Plant	Not Available	Alcoholic beverage	FooDB	Sigmund Engan. Organoleptic threshold values of some organic acids in beer. Journal of the Institute of Brewing, 1974, 80(2), 162-163. https://doi.org/10.1002/j.2050-0416.1974.tb03598.x
Plant	Not Available	Allium	FooDB	DTU
Plant	Not Available	Almond	FooDB	DTU
Plant	Not Available	Amaranth	FooDB	34893796
Plant	Not Available	Arabica coffee	FooDB	DTU
Plant	Not Available	Beer	FooDB	DTU
Plant	Not Available	Black salsify	FooDB	DTU
Plant	Not Available	Black walnut	FooDB	DTU
Plant	Not Available	Brandy	FooDB	DTU
Plant	Not Available	Broccoli	FooDB	DTU
Plant	Not Available	Brussel sprouts	FooDB	DTU
Plant	Not Available	Cassava	FooDB	DTU
Plant	Not Available	Cauliflower	FooDB	DTU
Plant	Not Available	Chanterelle	FooDB	DTU
Plant	Not Available	Cherimoya	FooDB	DTU
Plant	Not Available	Chervil	FooDB	DTU
Plant	Not Available	Chicory	FooDB	DTU
Plant	Not Available	Chinese cabbage	FooDB	DTU
Plant	Not Available	Chives	FooDB	DTU
Plant	Not Available	Cinnamon	FooDB	DTU
Plant	Not Available	Common cabbage	FooDB	DTU
Plant	Not Available	Common mushroom	FooDB	DTU
Plant	Not Available	Common pea	FooDB	DTU
Plant	Not Available	Dill	FooDB	DTU
Plant	Not Available	Endive	FooDB	DTU
Plant	Not Available	French plantain	FooDB	DTU
Plant	Not Available	Garden cress	FooDB	DTU
Plant	Not Available	Garden rhubarb	FooDB	DTU
Plant	Not Available	Garlic	FooDB	DTU
Plant	Not Available	Globe artichoke	FooDB	DTU
Plant	Not Available	Horseradish	FooDB	DTU
Plant	Not Available	Jerusalem artichoke	FooDB	DTU
Plant	Not Available	Kale	FooDB	DTU
Plant	Not Available	Kohlrabi	FooDB	DTU
Plant	Not Available	Lentils	FooDB	DTU
Plant	Not Available	Lettuce	FooDB	DTU
Plant	Not Available	Loquat	FooDB	DTU
Plant	Not Available	Nutmeg	FooDB	DTU
Plant	Not Available	Okra	FooDB	DTU
Plant	Not Available	Oyster mushroom	FooDB	DTU
Plant	Not Available	Pak choy	FooDB	DTU
Plant	Not Available	Palm hearts	FooDB	34893796
Plant	Not Available	Palomino wine fermented with yeast mo5	FooDB	Pablo Est√©vez, M Luisa Gil and Elena Falqu√©. Effects of seven yeast strains on the volatile composition of Palomino wines. International Journal of Food Science & Technology, 2004, 39, Issue 1, p.61-69. https://doi.org/10.1046/j.0950-5423.2003.00755.x
Plant	Not Available	Papaya	FooDB	DTU
Plant	Not Available	Parsley	FooDB	DTU
Plant	Not Available	Parsnip	FooDB	DTU
Plant	Not Available	Peanut	FooDB	34893796
Plant	Not Available	Pepper (spice)	FooDB	DTU
Plant	Not Available	Potato	FooDB	DTU
Plant	Not Available	Quinoa	FooDB	34893796
Plant	Not Available	Red wine	FooDB	DTU
Plant	Not Available	Rice	FooDB	34893796
Plant	Not Available	Robusta coffee	FooDB	DTU
Plant	Not Available	Romaine lettuce	FooDB	DTU
Plant	Not Available	Rose wine	FooDB	DTU
Plant	Not Available	Round kumquat	FooDB	DTU
Plant	Not Available	Savoy cabbage	FooDB	DTU
Plant	Not Available	Sorrel	FooDB	DTU
Plant	Not Available	Soy bean	FooDB	DTU
Plant	Not Available	Spinach	FooDB	DTU
Plant	Not Available	Swede	FooDB	DTU
Plant	Not Available	Sweet potato	FooDB	DTU
Plant	Not Available	Swiss chard	FooDB	DTU
Plant	Not Available	Teff	FooDB	34893796
Plant	Not Available	Turnip	FooDB	DTU
Plant	Not Available	Watercress	FooDB	DTU
Plant	Not Available	Whisky	FooDB	DTU
Plant	Not Available	White cabbage	FooDB	DTU
Plant	Not Available	White wine	FooDB	DTU
Plant	Not Available	Wild celery	FooDB	DTU
Plant	Not Available	Wild leek	FooDB	DTU
Plant	Bean	Common bean	FooDB	DTU
Plant	Bean sprout	Common bean	FooDB	DTU
Plant	Bean sprout	Mung bean	FooDB	DTU
Animal	Brain	Cow	FooDB	34893796
Plant	Cocoa products	Cocoa bean	FooDB	DTU
Plant	Coffee	Arabica coffee	FooDB	DTU
Plant	Coffee	Robusta coffee	FooDB	DTU
Animal	Egg	Anser	FooDB	DTU
Animal	Egg	Chicken	FooDB	DTU
Animal	Egg	Mallard duck	FooDB	DTU
Animal	Egg	Whitefish	FooDB	34893796
Animal	Fat	Anser	FooDB	DTU
Animal	Fat	Cow	FooDB	DTU
Animal	Fat	Domestic pig	FooDB	DTU
Animal	Fat	Wild boar	FooDB	DTU
Animal	Fillet	Blue whiting	FooDB	DTU
Animal	Fillet	Catfish	FooDB	DTU
Animal	Fillet	Common ling	FooDB	DTU
Animal	Fillet	Gadus (common cod)	FooDB	DTU
Animal	Fillet	Norway haddock	FooDB	DTU
Animal	Fillet	Pollock	FooDB	DTU
Animal	Fllet	Gadus (common cod)	FooDB	DTU
Plant	Flour	Carob	FooDB	34893796
Plant	Flour	Chickpea	FooDB	34893796
Plant	Flour	Peanut	FooDB	34893796
Plant	Flour	Potato	FooDB	DTU
Plant	Flour	Soy bean	FooDB	DTU
Plant	Fruit	Apple	FooDB	DTU
Plant	Fruit	Apricot	FooDB	DTU
Plant	Fruit	Avocado	FooDB	DTU
Plant	Fruit	Bilberry	FooDB	DTU
Plant	Fruit	Blackcurrant	FooDB	DTU
Plant	Fruit	Chayote	FooDB	DTU
Plant	Fruit	Coconut	FooDB	DTU
Plant	Fruit	Cucumber	FooDB	DTU
Plant	Fruit	Cucurbita	FooDB	DTU
Plant	Fruit	Date	FooDB	DTU
Plant	Fruit	Eggplant	FooDB	DTU
Plant	Fruit	Elderberry	FooDB	DTU
Plant	Fruit	European plum	FooDB	DTU
Plant	Fruit	Fig	FooDB	DTU
Plant	Fruit	Garden tomato	FooDB	DTU
Plant	Fruit	Gooseberry	FooDB	DTU
Plant	Fruit	Grape	FooDB	DTU
Plant	Fruit	Grapefruit	FooDB	DTU
Plant	Fruit	Green zucchini	FooDB	DTU
Plant	Fruit	Groundcherry	FooDB	DTU
Plant	Fruit	Guava	FooDB	DTU
Plant	Fruit	Kiwi	FooDB	DTU
Plant	Fruit	Lemon	FooDB	DTU
Plant	Fruit	Lichee	FooDB	DTU
Plant	Fruit	Lime	FooDB	DTU
Plant	Fruit	Lingonberry	FooDB	DTU
Plant	Fruit	Loganberry	FooDB	DTU
Plant	Fruit	Malus (crab apple)	FooDB	DTU
Plant	Fruit	Mandarin orange (clementine, tangerine)	FooDB	DTU
Plant	Fruit	Mango	FooDB	DTU
Plant	Fruit	Muskmelon	FooDB	DTU
Plant	Fruit	Nectarine	FooDB	DTU
Plant	Fruit	Papaya	FooDB	DUKE
Plant	Fruit	Passion fruit	FooDB	DTU
Plant	Fruit	Peach	FooDB	DTU
Plant	Fruit	Pear	FooDB	DTU
Plant	Fruit	Pepper	FooDB	All-Creatures
Plant	Fruit	Pepper (spice)	FooDB	DUKE
Plant	Fruit	Persimmon	FooDB	DTU
Plant	Fruit	Pineapple	FooDB	DTU
Plant	Fruit	Pomegranate	FooDB	DTU
Plant	Fruit	Prickly pear	FooDB	DTU
Plant	Fruit	Prunus (cherry, plum)	FooDB	DTU
Plant	Fruit	Quince	FooDB	DTU
Plant	Fruit	Redcurrant	FooDB	DTU
Plant	Fruit	Rose hip	FooDB	DTU
Plant	Fruit	Star fruit	FooDB	DTU
Plant	Fruit	Strawberry	FooDB	DTU
Plant	Fruit	Sunburst squash (pattypan squash)	FooDB	DTU
Plant	Fruit	Sweet orange	FooDB	DTU
Plant	Fruit	Tamarind	FooDB	DTU
Plant	Fruit	Vaccinium (blueberry, cranberry, huckleberry)	FooDB	DTU
Plant	Fruit	Watermelon	FooDB	DTU
Plant	Fruit	Winter squash	FooDB	DTU
Animal	Hand	Pig	FooDB	DTU
Animal	Hand with rind	Pig	FooDB	DTU
Animal	Heart	Chicken	FooDB	DTU
Animal	Heart	Cow	FooDB	DTU
Animal	Heart	Pig	FooDB	DTU
Animal	Hind leg without rind	Pig	FooDB	DTU
Plant	Juice	American cranberry	FooDB	34893796
Plant	Juice	Blackcurrant	FooDB	DTU
Plant	Juice	Elderberry	FooDB	DTU
Plant	Juice	Grape	FooDB	DTU
Plant	Juice	Lemon	FooDB	DTU
Plant	Juice	Prunus (cherry, plum)	FooDB	DTU
Plant	Juice	Strawberry	FooDB	DTU
Animal	Kidney	Cow	FooDB	DTU
Animal	Kidney	Pig	FooDB	DTU
Plant	Leaves	Celery leaves	FooDB	DTU
Plant	Leaves	Coriander	FooDB	DTU
Plant	Leaves	Dandelion	FooDB	DTU
Plant	Leaves	Tea	FooDB	DTU
Animal	Leg	Cow	FooDB	34893796
Animal	Leg	True frog	FooDB	DTU
Animal	Leg meat	Pig	FooDB	DTU
Animal	Leg with knuckle	Pig	FooDB	DTU
Animal	Liver	Chicken	FooDB	DTU
Animal	Liver	Cow	FooDB	DTU
Animal	Liver	Duck	FooDB	DTU
Animal	Liver	Gadus (common cod)	FooDB	DTU
Animal	Liver	Goose	FooDB	DTU
Animal	Liver	Pig	FooDB	DTU
Animal	Lung	Cow	FooDB	34893796
Animal	Meat and skin	Chicken	FooDB	DTU
Animal	Meat and skin	Duck	FooDB	DTU
Animal	Meat and skin	Goose	FooDB	DTU
Animal	Meat and skin	Pig	FooDB	DTU
Animal	Meat and skin	Turkey	FooDB	DTU
Animal	Milk	Cow	FooDB	11754544
Animal	Milk	Domestic goat	FooDB	DTU
Animal	Milk	Human	FooDB	DTU
Animal	Neck	Pig	FooDB	DTU
Plant	Nut	Brazil nut	FooDB	DTU
Plant	Nut	Chestnut	FooDB	DTU
Plant	Nut	Hazelnut	FooDB	DTU
Plant	Nut	Peanut	FooDB	DTU
Plant	Nut	Pecan nut	FooDB	DTU
Plant	Nut	Pine nut	FooDB	DTU
Plant	Nut	Pistachio	FooDB	DTU
Animal	Oil	Gadus (common cod)	FooDB	DTU
Animal	Oil	Haddock	FooDB	DTU
Plant	Oil	Coconut	FooDB	DTU
Plant	Oil	Cottonseed	FooDB	DTU
Plant	Oil	Flaxseed	FooDB	DTU
Plant	Oil	Oil palm	FooDB	DTU
Plant	Oil	Olive	FooDB	DTU
Plant	Oil	Peanut	FooDB	DTU
Plant	Oil	Rape	FooDB	DTU
Plant	Oil	Safflower	FooDB	DTU
Plant	Oil	Sesame	FooDB	DTU
Plant	Oil	Soy bean	FooDB	DTU
Plant	Oil	Sunflower	FooDB	DTU
Plant	Oil	Thistle	FooDB	DTU
Plant	Oil	Walnut	FooDB	DTU
Animal	Pancreas	Cow	FooDB	34893796
Plant	Peel	Lemon	FooDB	DTU
Plant	Plant	Common oregano	FooDB	DUKE
Plant	Plant	Common thyme	FooDB	DUKE
Plant	Powder	Garlic	FooDB	DTU
Plant	Powder	Rose hip	FooDB	DTU
Animal	Rib	Cow	FooDB	34893796
Animal	Rib	Pig	FooDB	DTU
Animal	Roe	Gadus (common cod)	FooDB	DTU
Plant	Root	Carrot	FooDB	DTU
Plant	Root	Cassava	FooDB	DUKE
Plant	Root	Daikon radish	FooDB	DTU
Plant	Root	Fennel	FooDB	DTU
Plant	Root	Ginger	FooDB	DTU
Plant	Root	Horseradish	FooDB	DTU
Plant	Root	Parsley	FooDB	DTU
Plant	Root	Red beetroot	FooDB	DTU
Plant	Root	Wild carrot	FooDB	DUKE
Plant	Seed	Adzuki bean	FooDB	DTU
Plant	Seed	Alfalfa	FooDB	DTU
Plant	Seed	Almond	FooDB	DUKE
Plant	Seed	Black-eyed pea	FooDB	34893796
Plant	Seed	Broad bean	FooDB	34893796
Plant	Seed	Caraway	FooDB	DUKE
Plant	Seed	Carrot	FooDB	DUKE
Plant	Seed	Cashew nut	FooDB	DUKE
Plant	Seed	Catjang pea	FooDB	34893796
Plant	Seed	Chickpea	FooDB	DTU
Plant	Seed	Coconut	FooDB	DUKE
Plant	Seed	Common bean	FooDB	DTU
Plant	Seed	Common pea	FooDB	DTU
Plant	Seed	Coriander	FooDB	DTU
Plant	Seed	Date	FooDB	DUKE
Plant	Seed	Dill	FooDB	DUKE
Plant	Seed	European plum	FooDB	DUKE
Plant	Seed	Fennel	FooDB	DTU
Plant	Seed	Flaxseed	FooDB	DTU
Plant	Seed	Lima bean	FooDB	34893796
Plant	Seed	Macadamia nut	FooDB	DUKE
Plant	Seed	Mung bean	FooDB	DTU
Plant	Seed	Muskmelon	FooDB	DUKE
Plant	Seed	Nutmeg	FooDB	DUKE
Plant	Seed	Poppy	FooDB	DTU
Plant	Seed	Sesame	FooDB	DTU
Plant	Seed	Soy bean	FooDB	DTU
Plant	Seed	Sunburst squash (pattypan squash)	FooDB	34893796
Plant	Seed	Sunflower	FooDB	DTU
Plant	Seed	Ucuhuba	FooDB	DUKE
Plant	Seed	Watermelon	FooDB	DUKE
Plant	Seed	White lupine	FooDB	DUKE
Plant	Seed	Wild carrot	FooDB	DUKE
Plant	Seed	Wild celery	FooDB	DUKE
Plant	Seed	Winter squash	FooDB	34893796
Plant	Seed	Yellow pond-lily	FooDB	34893796
Plant	Seed oil	Grape	FooDB	DTU
Plant	Shoot	Asparagus	FooDB	DTU
Plant	Shoot	Bamboo shoots	FooDB	DTU
Plant	Shoot	Celeriac	FooDB	DTU
Animal	Shoulder	Cow	FooDB	34893796
Animal	Shoulder	Pig	FooDB	DTU
Animal	Skin	Pig	FooDB	34893796
Animal	Spleen	Cow	FooDB	34893796
Plant	Sprout	Soy bean	FooDB	DTU
Animal	Suet	Cow	FooDB	34893796
Animal	Thymus	Cow	FooDB	DTU
Animal	Thymus	Sheep (mutton, lamb)	FooDB	DTU
Animal	Tongue	Cow	FooDB	DTU
Animal	Tongue	Pig	FooDB	DTU
Animal	Tripe	Cow	FooDB	34893796
Plant	Tuber	Potato	FooDB	DUKE
Plant	Tuber	Yam	FooDB	DTU
Animal	Meat	See All	FooDB	34893796

Source Type	Source Sub-type	Source Name	Data Source	Reference
Animal	Meat	Beefalo	FooDB	34893796
Animal	Meat	Chicken	FooDB	DTU
Animal	Meat	Cow	FooDB	DTU
Animal	Meat	Crab	FooDB	DTU
Animal	Meat	Deer	FooDB	34893796
Animal	Meat	Domestic goat	FooDB	34893796
Animal	Meat	Duck	FooDB	DTU
Animal	Meat	Goose	FooDB	DTU
Animal	Meat	Pig	FooDB	DTU
Animal	Meat	Rabbit	FooDB	DTU
Animal	Meat	Rock ptarmigan	FooDB	DTU
Animal	Meat	Sheep (mutton, lamb)	FooDB	DTU
Animal	Meat	Squab	FooDB	DTU
Animal	Meat	Turkey	FooDB	DTU

Other Exposures

Source Type	Data Source	Reference
General Exposome	U.S. Environmental Protection Agency	CompTox
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox
Food Additive	U.S. Food and Drug Administration	FDA

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Blood	Detected and Quantified	9.1				uM	Adult (>18 years old)	Both	Normal	HMDB	21359215
Human Blood	Detected and Quantified	0.719	0.029			uM	Adult (>18 years old)	Both	Normal	HMDB	20671299
Human Blood	Detected and Quantified	1.47	0.68			uM	Adult (>18 years old)	Both	Normal	HMDB	21359215
Human Blood	Detected and Quantified	12.0		2.0	37.0	uM	Adult (>18 years old)	Both	Normal	HMDB	8412012
Human Cerebrospinal fluid (csf)	Detected and Quantified	2.8	2.8			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	8412012
Human Urine	Detected and Quantified	0.03	0.02			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Epidermis	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 Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Thyroid gland	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	21190195
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	24421258
Human Feces	Detected but not Quantified						Infant (0-1 year old)	Both	Normal	HMDB	22411374
Human Feces	Detected but not Quantified						Infant (0-1 year old)	NULL	Normal	HMDB	24628373
Human Feces	Detected but not Quantified						Infant (0-1 year old)	Not Specified	Normal	HMDB	24628373
Human Feces	Detected but not Quantified						Infant (0-1 year old)	Not Specified	Normal	HMDB	24628373
Human Sweat	Detected but not Quantified						Adult	Both	Normal	HMDB	26755145
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000638

DrugBank ID

DB03017

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

30805

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Ryan MT, Chopra RK: The paradoxical effect of fatty acid on steroid-albumin interaction. Biochim Biophys Acta. 1976 Mar 18;427(1):337-49. doi: 10.1016/0005-2795(76)90309-3. [PubMed:1260006 ]
Smith SW, Anderson BD: Human skin permeability enhancement by lauric acid under equilibrium aqueous conditions. J Pharm Sci. 1995 May;84(5):551-6. doi: 10.1002/jps.2600840507. [PubMed:7658343 ]
Hoffmann GF, Meier-Augenstein W, Stockler S, Surtees R, Rating D, Nyhan WL: Physiology and pathophysiology of organic acids in cerebrospinal fluid. J Inherit Metab Dis. 1993;16(4):648-69. doi: 10.1007/BF00711898. [PubMed:8412012 ]
Amet Y, Berthou F, Baird S, Dreano Y, Bail JP, Menez JF: Validation of the (omega-1)-hydroxylation of lauric acid as an in vitro substrate probe for human liver CYP2E1. Biochem Pharmacol. 1995 Nov 27;50(11):1775-82. doi: 10.1016/0006-2952(95)02040-3. [PubMed:8615855 ]
Amet Y, Berthou F, Menez JF: Simultaneous radiometric and fluorimetric detection of lauric acid metabolites using high-performance liquid chromatography following esterification with 4-bromomethyl-6,7-dimethoxycoumarin in human and rat liver microsomes. J Chromatogr B Biomed Appl. 1996 Jun 7;681(2):233-9. doi: 10.1016/0378-4347(96)00043-6. [PubMed:8811432 ]
Powell PK, Wolf I, Lasker JM: Identification of CYP4A11 as the major lauric acid omega-hydroxylase in human liver microsomes. Arch Biochem Biophys. 1996 Nov 1;335(1):219-26. doi: 10.1006/abbi.1996.0501. [PubMed:8914854 ]
Amet Y, Berthou F, Fournier G, Dreano Y, Bardou L, Cledes J, Menez JF: Cytochrome P450 4A and 2E1 expression in human kidney microsomes. Biochem Pharmacol. 1997 Mar 21;53(6):765-71. doi: 10.1016/s0006-2952(96)00821-0. [PubMed:9113097 ]
Authors unspecified: NTP Toxicology and Carcinogenesis Studies of Lauric Acid Diethanolamine Condensate (CAS NO. 120-40-1) in F344/N Rats and B6C3F1 Mice (Dermal Studies). Natl Toxicol Program Tech Rep Ser. 1999 Jul;480:1-200. [PubMed:12571683 ]
Kitahara T, Koyama N, Matsuda J, Aoyama Y, Hirakata Y, Kamihira S, Kohno S, Nakashima M, Sasaki H: Antimicrobial activity of saturated fatty acids and fatty amines against methicillin-resistant Staphylococcus aureus. Biol Pharm Bull. 2004 Sep;27(9):1321-6. doi: 10.1248/bpb.27.1321. [PubMed:15340213 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]

Showing metabocard for Dodecanoic acid (MMDBc0000532)

MOL for #<Metabolite:0x00007f922c1bdd78>

3D MOL for #<Metabolite:0x00007f922c1bdd78>

3D SDF for #<Metabolite:0x00007f922c1bdd78>

3D-SDF for #<Metabolite:0x00007f922c1bdd78>

PDB for #<Metabolite:0x00007f922c1bdd78>

3D PDB for #<Metabolite:0x00007f922c1bdd78>

SMILES for #<Metabolite:0x00007f922c1bdd78>

INCHI for #<Metabolite:0x00007f922c1bdd78>

Structure for #<Metabolite:0x00007f922c1bdd78>

3D Structure for #<Metabolite:0x00007f922c1bdd78>