Hmdb loader

Showing metabocard for Dodecanoic acid (HMDB0000638)

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enzymes (11) Show 11 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:15:01 UTC
HMDB IDHMDB0000638
Secondary Accession Numbers
  • HMDB00638
Metabolite Identification
Common NameDodecanoic acid
DescriptionDodecanoic 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
Data?1676999701
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000638 (Dodecanoic acid)


  Mrv1652309272007342D          

 14 13  0  0  0  0            999 V2000
    3.1941   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7651   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3360   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0929   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8075    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5220   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9510   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6656    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3800   -0.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6656    1.0629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000638 (Dodecanoic acid)

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
Download

3D SDF for HMDB0000638 (Dodecanoic acid)


  Mrv1652309272007342D          

 14 13  0  0  0  0            999 V2000
    3.1941   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7651   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3360   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0929   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8075    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5220   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9510   -0.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6656    0.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3800   -0.1746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6656    1.0629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000638

> <DATABASE_NAME>
hmdb

> <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

> <FORMULA>
C12H24O2

> <MOLECULAR_WEIGHT>
200.3178

> <EXACT_MASS>
200.177630012

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
25.846297240499034

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
dodecanoic acid

> <ALOGPS_LOGP>
5.13

> <JCHEM_LOGP>
4.478308117666667

> <ALOGPS_LOGS>
-4.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
58.67959999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.97e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lauric acid

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0000638 (Dodecanoic acid)

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
Download

PDB for HMDB0000638 (Dodecanoic acid)

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
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3D PDB for HMDB0000638 (Dodecanoic acid)

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
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SMILES for HMDB0000638 (Dodecanoic acid)

CCCCCCCCCCCC(O)=O
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INCHI for HMDB0000638 (Dodecanoic acid)

InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
1-Undecanecarboxylic acidChEBI
ABLChEBI
C12 Fatty acidChEBI
C12:0ChEBI
CH3-[CH2]10-COOHChEBI
Coconut oil fatty acidsChEBI
DAOChEBI
Dodecoic acidChEBI
DodecylcarboxylateChEBI
Dodecylic acidChEBI
Duodecyclic acidChEBI
Duodecylic acidChEBI
Lauric acidChEBI
LaurinsaeureChEBI
Laurostearic acidChEBI
N-Dodecanoic acidChEBI
Undecane-1-carboxylic acidChEBI
Vulvic acidChEBI
DodecanoateKegg
1-UndecanecarboxylateGenerator
DodecoateGenerator
Dodecylcarboxylic acidGenerator
DodecylateGenerator
DuodecyclateGenerator
DuodecylateGenerator
LaateGenerator
Laic acidGenerator
LaurostearateGenerator
N-DodecanoateGenerator
Undecane-1-carboxylateGenerator
VulvateGenerator
Aliphat no. 4HMDB
Edenor C 1298-100HMDB
Emery 651HMDB
Hystrene 9512HMDB
Kortacid 1299HMDB
LaurateHMDB
Lunac L 70HMDB
Lunac L 98HMDB
Neo-fat 12HMDB
Neo-fat 12-43HMDB
Nissan naa 122HMDB
Philacid 1200HMDB
Prifac 2920HMDB
Univol u 314HMDB
1-Dodecanoic acidHMDB
FA(12:0)HMDB
Dodecanoic acidPhytoBank
Chemical FormulaC12H24O2
Average Molecular Weight200.3178
Monoisotopic Molecular Weight200.177630012
IUPAC Namedodecanoic acid
Traditional Namelauric acid
CAS Registry Number143-07-7
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 KeyPOULHZVOKOAJMA-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.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMedium-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 FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource