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enzymes (11) Show 11 proteins

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2023-02-21 17:15:01 UTC

HMDB ID

HMDB0000638

Secondary Accession Numbers

HMDB00638

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

View in JSmol View Stereo Labels

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

Chemical Formula

C₁₂H₂₄O₂

Average Molecular Weight

200.3178

Monoisotopic Molecular Weight

200.177630012

IUPAC Name

dodecanoic acid

Traditional Name

lauric acid

CAS Registry Number

143-07-7

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 )

Ontology

Cellular substructure

Organelle

Adiposome (HMDB: HMDB0000638)

Stratum Corneum (HMDB: HMDB0000638)

Organ

Prostate (HMDB: HMDB0000638)
Liver (HMDB: HMDB0000638)

Gland

Thyroid gland (HMDB: HMDB0000638)
Thyroid gland (HMDB: HMDB0000638)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0000638)
Saliva (HMDB: HMDB0000638)
Cerebrospinal fluid (HMDB: HMDB0000638)
Cerebrospinal Fluid (CSF) (PMID: 8412012)

Epidermis (HMDB: HMDB0000638)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0000638)

Source

Endogenous

Endogenous (HMDB: HMDB0000638)

Plant

Animal

Animal (HMDB: HMDB0000638)

Exogenous

Food

Food (HMDB: HMDB0000638)

Animal origin

Poultry

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Quail (FooDB: FOOD00541)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Turkey (FooDB: FOOD00494)
Chicken (FooDB: FOOD00329)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Bovine

Lagomorph

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Cabbage

Onion-family vegetable

Allium (FooDB: FOOD00005)
Garden onion (FooDB: FOOD00006)
Leek (FooDB: FOOD00007)
Garden onion (var.) (FooDB: FOOD00226)
Shallot (FooDB: FOOD00243)
Wild leek (FooDB: FOOD00396)
Red onion (FooDB: FOOD00962)
Green onion (FooDB: FOOD00963)
Onion-family vegetables (FooDB: FOOD00855)

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)
Rocket salad (FooDB: FOOD00244)
Green vegetables (FooDB: FOOD00872)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Vegetable product

Other vegetable product (FooDB: FOOD00671)

Brassica

Brassicas (FooDB: FOOD00857)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)
Citrus (FooDB: FOOD00859)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Evergreen blackberry (FooDB: FOOD00901)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Fruit product

Fruits (FooDB: FOOD00871)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)
Mixed nuts (FooDB: FOOD00771)
Nuts (FooDB: FOOD00869)

Cereal and cereal product

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)
Other bread (FooDB: FOOD00269)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Bread products

Other bread product (FooDB: FOOD00805)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)
Pulses (FooDB: FOOD00867)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Coffee product

Coffee mocha (FooDB: FOOD00743)

Soy

Soy bean (FooDB: FOOD00085)

Sausage (FooDB: FOOD00652)
Meatball (FooDB: FOOD00653)
Pate (FooDB: FOOD00655)
Meatloaf (FooDB: FOOD00737)
Cold cut (FooDB: FOOD00770)

Pasta dish

American cuisine

Potato dish

Potato gratin (FooDB: FOOD00847)
Potato puffs (FooDB: FOOD00846)

Tex-mex cuisine

Chili (FooDB: FOOD00707)
Burrito (FooDB: FOOD00704)
Nachos (FooDB: FOOD00710)
Taco (FooDB: FOOD00708)

Levantine cuisine

Hummus (FooDB: FOOD00845)

Sandwich

Berber cuisine

Couscous (FooDB: FOOD00740)

Mexican cuisine

Asian cuisine

Egg roll (FooDB: FOOD00717)
Rice cake (FooDB: FOOD00796)

Latin american cuisine

Tamale (FooDB: FOOD00795)
Empanada (FooDB: FOOD00830)
Pupusa (FooDB: FOOD00829)
Arepa (FooDB: FOOD00831)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Sugar

Sugar (FooDB: FOOD00651)

Dressing

Salad dressing (FooDB: FOOD00645)

Condiment

Substitute

Seasoning

Salt (FooDB: FOOD00647)
Vinegar (FooDB: FOOD00628)
Adobo (FooDB: FOOD00758)

Sauce

Sauce (FooDB: FOOD00646)

Beverage

Fermented beverage

Beer (FooDB: FOOD00268)
White wine (FooDB: FOOD00917)
Grape wine (FooDB: FOOD00612)
Sake (FooDB: FOOD00738)

Distilled beverage

Spirit (FooDB: FOOD00276)
Gin (FooDB: FOOD00625)
Liquor (FooDB: FOOD00616)
Rum (FooDB: FOOD00629)
Vodka (FooDB: FOOD00622)
Whisky (FooDB: FOOD00623)

Other beverage

Fortified wines

Water

Water (FooDB: FOOD00664)

Nutritional beverage

Nutritional drink (FooDB: FOOD00754)
Energy drink (FooDB: FOOD00703)

Alcoholic beverage

Cocktail (FooDB: FOOD00739)
Other alcoholic beverage (FooDB: FOOD00278)

Aquatic origin

Fish

Anchovy (FooDB: FOOD00566)
Blue whiting (FooDB: FOOD00567)
Carp bream (FooDB: FOOD00568)
Clupeinae (Herring, Sardine, Sprat) (FooDB: FOOD00520)
Burbot (FooDB: FOOD00313)
Sturgeon (FooDB: FOOD00570)
Charr (FooDB: FOOD00571)
Gadus (Common cod) (FooDB: FOOD00515)
Common dab (FooDB: FOOD00574)
Spiny dogfish (FooDB: FOOD00575)
Anguilliformes (FooDB: FOOD00577)
Flatfish (FooDB: FOOD00535)
Garfish (FooDB: FOOD00579)
Haddock (FooDB: FOOD00374)
Gadiformes (FooDB: FOOD00580)
Atlantic halibut (FooDB: FOOD00516)
Greenland halibut/turbot (FooDB: FOOD00370)
Lake trout (FooDB: FOOD00582)
Lemon sole (FooDB: FOOD00583)
Common ling (FooDB: FOOD00397)
Lumpsucker (FooDB: FOOD00585)
Scombridae (Bonito, Mackerel, Tuna) (FooDB: FOOD00586)
Norway haddock (FooDB: FOOD00588)
Norway pout (FooDB: FOOD00590)
Perciformes (FooDB: FOOD00527)
Northern pike (FooDB: FOOD00431)
Pikeperch (FooDB: FOOD00595)
Pleuronectidae (Dab, Halibut, Plaice) (FooDB: FOOD00596)
Pollock (FooDB: FOOD00513)
Rainbow trout (FooDB: FOOD00444)
Pacific ocean perch (FooDB: FOOD00598)
Salmonidae (Salmon, Trout) (FooDB: FOOD00493)
True sole (FooDB: FOOD00604)
Catfish (FooDB: FOOD00605)
Thunnus (FooDB: FOOD00607)
Turbot (FooDB: FOOD00364)
Whitefish (FooDB: FOOD00503)
Whiting (FooDB: FOOD00504)
Atlantic wolffish (FooDB: FOOD00296)
European anchovy (FooDB: FOOD00362)
Percoidei (Bass and others) (FooDB: FOOD00526)
Striped bass (FooDB: FOOD00298)
Bluefish (FooDB: FOOD00306)
American butterfish (FooDB: FOOD00315)
Common carp (FooDB: FOOD00322)
Channel catfish (FooDB: FOOD00324)
Cisco (FooDB: FOOD00334)
Atlantic cod (FooDB: FOOD00338)
Pacific cod (FooDB: FOOD00337)
Atlantic croaker (FooDB: FOOD00345)
Dolphin fish (FooDB: FOOD00351)
Freshwater eel (FooDB: FOOD00357)
Grouper (FooDB: FOOD00372)
Hippoglossus (Common halibut) (FooDB: FOOD00375)
Atlantic herring (FooDB: FOOD00292)
Lingcod (FooDB: FOOD00398)
Atlantic mackerel (FooDB: FOOD00293)
Pacific jack mackerel (FooDB: FOOD00383)
Spanish mackerel (FooDB: FOOD00460)
Striped mullet (FooDB: FOOD00412)
Painted comber (FooDB: FOOD00294)
Walleye (FooDB: FOOD00496)
Atlantic pollock (FooDB: FOOD00295)
Alaska pollock (FooDB: FOOD00497)
Florida pompano (FooDB: FOOD00366)
Pacific rockfish (FooDB: FOOD00426)
Orange roughy (FooDB: FOOD00448)
Sablefish (FooDB: FOOD00449)
Atlantic salmon (FooDB: FOOD00455)
Chinook salmon (FooDB: FOOD00454)
Chum salmon (FooDB: FOOD00451)
Coho salmon (FooDB: FOOD00452)
Pink salmon (FooDB: FOOD00450)
Sockeye salmon (FooDB: FOOD00453)
Pacific sardine (FooDB: FOOD00461)
Scup (FooDB: FOOD00463)
Sea trout (FooDB: FOOD00468)
American shad (FooDB: FOOD00470)
Shark (FooDB: FOOD00471)
Rainbow smelt (FooDB: FOOD00443)
Snapper (FooDB: FOOD00477)
Spot croaker (FooDB: FOOD00557)
Greater sturgeon (FooDB: FOOD00483)
Swordfish (FooDB: FOOD00487)
Tilefish (FooDB: FOOD00490)
Northern bluefin tuna (FooDB: FOOD00305)
Albacore tuna (FooDB: FOOD00514)
Yellowfin tuna (FooDB: FOOD00511)
Cichlidae (Tilapia) (FooDB: FOOD00699)
Sheefish (FooDB: FOOD00472)
Smelt (FooDB: FOOD00519)
Devilfish (FooDB: FOOD00349)

Crustacean

Fish product

Other fish product (FooDB: FOOD00665)

Amphibian

True frog (FooDB: FOOD00578)

Mollusk

Marine mussel (FooDB: FOOD00587)
Common octopus (FooDB: FOOD00339)
True oyster (FooDB: FOOD00592)
Snail (FooDB: FOOD00603)
Abalone (FooDB: FOOD00279)
Bivalvia (Clam, Mussel, Oyster) (FooDB: FOOD00531)
Blue mussel (FooDB: FOOD00304)
Eastern oyster (FooDB: FOOD00356)
Pacific oyster (FooDB: FOOD00425)
Scallop (FooDB: FOOD00462)
Squid (FooDB: FOOD00532)
Whelk (FooDB: FOOD00500)
Conch (FooDB: FOOD00611)

Pinniped

Seaweed

Cetacean

Cetacea (Dolphin, Porpoise, Whale) (FooDB: FOOD00609)
Beluga whale (FooDB: FOOD00300)

Roe

Roe (FooDB: FOOD00698)

Other aquatic food

Jellyfish (FooDB: FOOD00565)
Green turtle (FooDB: FOOD00702)

Baby food

Baby food (FooDB: FOOD00668)

Unclassified food or beverage

Unclassified food or beverage (FooDB: FOOD00672)

Fat and oil

Vegetable fat

Margarine-like spread (FooDB: FOOD00844)
Margarine (FooDB: FOOD00843)
Shortening (FooDB: FOOD00783)

Animal fat

Fish oil (FooDB: FOOD00990)
Fats and oils (FooDB: FOOD00864)

Milk and milk product

Other milk product

Fermented milk product

Unfermented milk

Milk (Other mammals) (FooDB: FOOD00690)
Milk (Human) (FooDB: FOOD00666)
Milk (Cow) (FooDB: FOOD00618)
Cow milk, pasteurized, vitamin A + D added, 0% fat (FooDB: FOOD00889)
Cow milk, pasteurized, vitamin A + D added, 1% fat (FooDB: FOOD00890)
Cow milk, pasteurized, vitamin A + D added, 2% fat (FooDB: FOOD00891)
Cow milk, pasteurized, vitamin D added, 3.25% fat (FooDB: FOOD00892)

Honey (FooDB: FOOD00626)
Marzipan (FooDB: FOOD00644)
Nougat (FooDB: FOOD00634)
Toffee (FooDB: FOOD00635)
Meringue (FooDB: FOOD00680)
Icing (FooDB: FOOD00700)

Frozen dessert

Spread

Chocolate spread (FooDB: FOOD00676)
Dulce de leche (FooDB: FOOD00714)

Milk dessert

Sweet custard (FooDB: FOOD00716)
Junket (FooDB: FOOD00726)

Cocoa and cocoa product

Cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Snack

Egg

Eggs (FooDB: FOOD00619)

Synthetic

Personal care products

Personal care products (HMDB: HMDB0000638)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Beta Oxidation of Very Long Chain Fatty Acids (HMDB: HMDB0000638)
Fatty Acid Biosynthesis (HMDB: HMDB0000638)
Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids (HMDB: HMDB0000638)
Palmitate Biosynthesis (PathBank: SMP0000818)
Fatty Acid Oxidation (Laurate) (PathBank: SMP0001036)
Palmitate Biosynthesis 2 (PathBank: SMP0002058)
Fatty Acid Metabolism (HMDB: HMDB0000638)
Fatty Acid Biosynthesis (PathBank: SMP0002360)

Disease pathway

Adrenoleukodystrophy, X-Linked (PathBank: SMP0000516)
Carnitine-Acylcarnitine Translocase Deficiency (PathBank: SMP0000517)
Adrenoleukodystrophy, X-Linked (HMDB: HMDB0000638)

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0000638)

Cellular process

Cell signaling (HMDB: HMDB0000638)

Biochemical process

Lipid transport (HMDB: HMDB0000638)

Role

Industrial applicationBiological role

Energy storage (HMDB: HMDB0000638)
Anti bacterial (HMDB: HMDB0000638)
Candidicide (HMDB: HMDB0000638)
Hypercholesterolemic (HMDB: HMDB0000638)
Plant metabolite (HMDB: HMDB0000638)

Modulator

Inhibitor

Cyclooxygenase 2 inhibitor (HMDB: HMDB0000638)
Cyclooxygenase 1 inhibitor (HMDB: HMDB0000638)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	44 - 46 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.0048 mg/mL	Not Available
LogP	4.60	SANGSTER (1993)

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	MetCCS_train_neg	152.584	30932474
[M-H]-	Not Available	153.8	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000205

Predicted Molecular 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

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	150.909	31661259
DarkChem	[M-H]-	150.125	31661259
AllCCS	[M+H]+	152.715	32859911
AllCCS	[M-H]-	154.086	32859911
DeepCCS	[M+H]+	151.629	30932474
DeepCCS	[M-H]-	147.809	30932474
DeepCCS	[M-2H]-	184.931	30932474
DeepCCS	[M+Na]+	160.44	30932474
AllCCS	[M+H]+	152.7	32859911
AllCCS	[M+H-H2O]+	149.1	32859911
AllCCS	[M+NH4]+	156.1	32859911
AllCCS	[M+Na]+	157.1	32859911
AllCCS	[M-H]-	154.1	32859911
AllCCS	[M+Na-2H]-	155.4	32859911
AllCCS	[M+HCOO]-	156.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Dodecanoic acid	CCCCCCCCCCCC(O)=O	2460.7	Standard polar	33892256
Dodecanoic acid	CCCCCCCCCCCC(O)=O	1547.1	Standard non polar	33892256
Dodecanoic acid	CCCCCCCCCCCC(O)=O	1578.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Dodecanoic acid,1TMS,isomer #1	CCCCCCCCCCCC(=O)O[Si](C)(C)C	1651.0	Semi standard non polar	33892256
Dodecanoic acid,1TBDMS,isomer #1	CCCCCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C	1881.0	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Dodecanoic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0159-0910000000-a12b321a54a44ae28972	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Dodecanoic acid GC-MS (1 TMS)	splash10-014i-2910000000-d52410168e784872a5a6	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Dodecanoic acid EI-B (Non-derivatized)	splash10-06xx-9100000000-1ef5cd411f38c53a0a92	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Dodecanoic acid EI-B (Non-derivatized)	splash10-0706-9100000000-e66a9147257053b93702	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Dodecanoic acid EI-B (Non-derivatized)	splash10-0706-9100000000-2dd666a9a0355b1ca144	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Dodecanoic acid EI-B (Non-derivatized)	splash10-074i-9300000000-405ec308fe8c935c62a2	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Dodecanoic acid EI-B (Non-derivatized)	splash10-067i-0930000000-6a80d41e346f4b10104c	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Dodecanoic acid GC-EI-TOF (Non-derivatized)	splash10-0159-0910000000-a12b321a54a44ae28972	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Dodecanoic acid GC-MS (Non-derivatized)	splash10-014i-2910000000-d52410168e784872a5a6	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Dodecanoic acid GC-EI-TOF (Non-derivatized)	splash10-0159-1910000000-8246864bf316bce609a2	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dodecanoic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9500000000-e05832f94ff0361363a2	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dodecanoic acid GC-MS (1 TMS) - 70eV, Positive	splash10-05g0-9310000000-038e232cccb44582ec9c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dodecanoic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dodecanoic acid GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-074l-9100000000-911a01d38925d0de481f	2014-09-20	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-0udi-2290000000-861c4b7b2da35b82ef7f	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-0a4l-9100000000-966cf4c6621fcec41368	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-054o-9000000000-d43dd32656ad22e95fdd	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid EI-B (HITACHI M-80B) , Positive-QTOF	splash10-06xx-9100000000-a71409efaf5fdd6ab0e1	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid EI-B (JEOL JMS-AX-505-H) , Positive-QTOF	splash10-0706-9100000000-eb09296a8c4c7c381b38	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOF	splash10-0002-0900000000-f22d8298d64e6f382279	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOF	splash10-0002-0900000000-4bb88d3b1d2b7ac88152	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOF	splash10-0002-0900000000-0c79a7257b53685108c6	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOF	splash10-0002-9600000000-25d268515337ef276c60	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOF	splash10-009b-9000000000-c00963f9b91f4a82e1ef	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid LC-ESI-QQ , negative-QTOF	splash10-0002-0900000000-f22d8298d64e6f382279	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid LC-ESI-QQ , negative-QTOF	splash10-0002-0900000000-4bb88d3b1d2b7ac88152	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Dodecanoic acid LC-ESI-QQ , negative-QTOF	splash10-0002-0900000000-0c79a7257b53685108c6	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 10V, Positive-QTOF	splash10-001i-0920000000-63cd88b9477cd281d342	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 20V, Positive-QTOF	splash10-0a5c-4910000000-94738a1f436dcf1abced	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 40V, Positive-QTOF	splash10-052f-9100000000-07ca8cffe5ba2f9f920d	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 10V, Positive-QTOF	splash10-001i-0920000000-63cd88b9477cd281d342	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 20V, Positive-QTOF	splash10-0a5c-4910000000-94738a1f436dcf1abced	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 40V, Positive-QTOF	splash10-052f-9100000000-07ca8cffe5ba2f9f920d	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 10V, Negative-QTOF	splash10-0002-0900000000-1655e63166b4d9dd4f59	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 20V, Negative-QTOF	splash10-0532-1900000000-7c55a9ca2b49d4920029	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 40V, Negative-QTOF	splash10-0a4l-9400000000-ed8f6bcf96c68ac84738	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 10V, Negative-QTOF	splash10-0002-0900000000-1655e63166b4d9dd4f59	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 20V, Negative-QTOF	splash10-0532-1900000000-7c55a9ca2b49d4920029	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dodecanoic acid 40V, Negative-QTOF	splash10-0a4l-9400000000-ed8f6bcf96c68ac84738	2015-05-27	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)	2012-12-04	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)	2012-12-05	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane (predicted from logP)

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Feces
Saliva
Sweat
Urine

Tissue Locations

Epidermis
Liver
Prostate
Thyroid Gland

Pathways

Name	SMPDB/PathBank	KEGG
Biosynthesis of unsaturated fatty acids	Not Available
Fatty Acid Biosynthesis		Not Available
Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids		Not Available
Adrenoleukodystrophy, X-linked		Not Available
Carnitine-acylcarnitine translocase deficiency		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	12.0 (2.0-37.0) uM	Adult (>18 years old)	Both	Normal	8412012	details
Blood	Detected and Quantified	1.47 +/- 0.68 uM	Adult (>18 years old)	Both	Normal	21359215	details
Blood	Detected and Quantified	9.1 uM	Adult (>18 years old)	Both	Normal	21359215	details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Blood	Detected and Quantified	0.719 +/- 0.029 uM	Adult (>18 years old)	Both	Normal	20671299	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	2.8 +/- 2.8 uM	Adult (>18 years old)	Not Specified	Normal	8412012	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details
Feces	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Not Specified	Normal	24628373	details
Feces	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Not Specified	Normal	24628373	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Feces	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Not Available	Normal	24628373	details
Feces	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Both	Normal	22411374	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	21190195	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Not Specified	Normal	24421258	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	Zerihun T. Dame, ...	details
Sweat	Detected but not Quantified	Not Quantified	Adult	Both	Normal	26755145	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Urine	Detected and Quantified	0.03 +/- 0.02 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Geigy Scientific ...	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal Cancer	27275383	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Metastatic melanoma	28923537	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	27015276	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Oral squamous cell carcinoma (OSCC)	21190195	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Oral leukoplakia (OLK)	21190195	details
Sweat	Detected but not Quantified	Not Quantified	Infant (0-1 year old)	Not Specified	screen-positive CF	Adriana Nori...	details

Associated Disorders and Diseases

Disease References

Colorectal cancer
Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ] Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ] Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Metastatic melanoma
Frankel AE, Coughlin LA, Kim J, Froehlich TW, Xie Y, Frenkel EP, Koh AY: Metagenomic Shotgun Sequencing and Unbiased Metabolomic Profiling Identify Specific Human Gut Microbiota and Metabolites Associated with Immune Checkpoint Therapy Efficacy in Melanoma Patients. Neoplasia. 2017 Oct;19(10):848-855. doi: 10.1016/j.neo.2017.08.004. Epub 2017 Sep 15. [PubMed:28923537 ]
Cystic fibrosis
Adriana Nori de Macedo. Robust capillary electrophoresis methods for biomarker discovery and routine measurements in clinical and epidemiological applications. March 2017 [Link]

Associated OMIM IDs

114500 (Colorectal cancer)
219700 (Cystic fibrosis)

External Links

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

VMH ID

DDCA

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Stepanova, G. A.; Markevich, V. S.; Garanin, V. I.; Stychinskii, G. F. Synthesis of lauric acid. Khimicheskaya Promyshlennost (Moscow, Russian Federation) (1974), (12), 930.

Material Safety Data Sheet (MSDS)

Not Available

General References

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 ]
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. [PubMed:8412012 ]
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. [PubMed:9113097 ]
Smith SW, Anderson BD: Human skin permeability enhancement by lauric acid under equilibrium aqueous conditions. J Pharm Sci. 1995 May;84(5):551-6. [PubMed:7658343 ]
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. [PubMed:8914854 ]
Ryan MT, Chopra RK: The paradoxical effect of fatty acid on steroid-albumin interaction. Biochim Biophys Acta. 1976 Mar 18;427(1):337-49. [PubMed:1260006 ]
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. [PubMed:8615855 ]
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. [PubMed:15340213 ]
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 ]
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. [PubMed:8811432 ]

Only showing the first 10 proteins. There are 11 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Phospholipase A2, membrane associated

General function:: Involved in phospholipase A2 activity
Specific function:: Thought to participate in the regulation of the phospholipid metabolism in biomembranes including eicosanoid biosynthesis. Catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides.
Gene Name:: PLA2G2A
Uniprot ID:: P14555
Molecular weight:: 16082.525

References

Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]

Enzyme Details

2. Group IID secretory phospholipase A2

General function:: Involved in phospholipase A2 activity
Specific function:: PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. L-alpha-1-palmitoyl-2-linoleoyl phosphatidylethanolamine is more efficiently hydrolyzed than the other phospholipids examined.
Gene Name:: PLA2G2D
Uniprot ID:: Q9UNK4
Molecular weight:: 16546.1

References

Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]

Enzyme Details

3. Peroxisomal carnitine O-octanoyltransferase

General function:: Involved in acyltransferase activity
Specific function:: Beta-oxidation of fatty acids. The highest activity concerns the C6 to C10 chain length substrate. Converts the end product of pristanic acid beta oxidation, 4,8-dimethylnonanoyl-CoA, to its corresponding carnitine ester.
Gene Name:: CROT
Uniprot ID:: Q9UKG9
Molecular weight:: 10213.63

Enzyme Details

4. Carnitine O-palmitoyltransferase 2, mitochondrial

General function:: Involved in acyltransferase activity
Specific function:: Not Available
Gene Name:: CPT2
Uniprot ID:: P23786
Molecular weight:: 73776.335

Enzyme Details

5. Alcohol dehydrogenase class-3

General function:: Involved in zinc ion binding
Specific function:: Class-III ADH is remarkably ineffective in oxidizing ethanol, but it readily catalyzes the oxidation of long-chain primary alcohols and the oxidation of S-(hydroxymethyl) glutathione.
Gene Name:: ADH5
Uniprot ID:: P11766
Molecular weight:: 39723.945

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]

Enzyme Details

6. Ganglioside GM2 activator

General function:: Involved in sphingolipid activator protein activity
Specific function:: Binds gangliosides and stimulates ganglioside GM2 degradation. It stimulates only the breakdown of ganglioside GM2 and glycolipid GA2 by beta-hexosaminidase A. It extracts single GM2 molecules from membranes and presents them in soluble form to beta-hexosaminidase A for cleavage of N-acetyl-D-galactosamine and conversion to GM3
Gene Name:: GM2A
Uniprot ID:: P17900
Molecular weight:: 20838.1

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]

Enzyme Details

7. Lactotransferrin

General function:: Involved in ferric iron binding
Specific function:: The lactotransferrin transferrin-like domain 1 functions as a serine protease of the peptidase S60 family that cuts arginine rich regions. This function contributes to the antimicrobial activity
Gene Name:: LTF
Uniprot ID:: P02788
Molecular weight:: 78181.2

References

Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]

Enzyme Details

8. Toll-like receptor 4

General function:: Involved in protein binding
Specific function:: Cooperates with LY96 and CD14 to mediate the innate immune response to bacterial lipopolysaccharide (LPS). Acts via MYD88, TIRAP and TRAF6, leading to NF-kappa-B activation, cytokine secretion and the inflammatory response
Gene Name:: TLR4
Uniprot ID:: O00206
Molecular weight:: 95679.2

References

Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]

Enzyme Details

9. Mitochondrial carnitine/acylcarnitine carrier protein

General function:: Involved in transporter activity
Specific function:: Mediates the transport of acylcarnitines of different length across the mitochondrial inner membrane from the cytosol to the mitochondrial matrix for their oxidation by the mitochondrial fatty acid-oxidation pathway.
Gene Name:: SLC25A20
Uniprot ID:: O43772
Molecular weight:: 32943.46

Enzyme Details

10. Glycolipid transfer protein

General function:: Involved in glycolipid transporter activity
Specific function:: Accelerates the intermembrane transfer of various glycolipids. Catalyzes the transfer of various glycosphingolipids between membranes but does not catalyze the transfer of phospholipids. May be involved in the intracellular translocation of glucosylceramides
Gene Name:: GLTP
Uniprot ID:: Q9NZD2
Molecular weight:: 23849.6

References

Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]

Only showing the first 10 proteins. There are 11 proteins in total.

Show all enzymes and transporters

Showing metabocard for Dodecanoic acid (HMDB0000638)

MOL for HMDB0000638 (Dodecanoic acid)

3D MOL for HMDB0000638 (Dodecanoic acid)

3D SDF for HMDB0000638 (Dodecanoic acid)

3D-SDF for HMDB0000638 (Dodecanoic acid)

PDB for HMDB0000638 (Dodecanoic acid)

3D PDB for HMDB0000638 (Dodecanoic acid)

SMILES for HMDB0000638 (Dodecanoic acid)

INCHI for HMDB0000638 (Dodecanoic acid)

Structure for HMDB0000638 (Dodecanoic acid)

3D Structure for HMDB0000638 (Dodecanoic acid)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes

References

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