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Showing metabocard for Dodecanamide (HMDB0251566)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 08:55:54 UTC
Update Date2021-09-26 23:03:38 UTC
HMDB IDHMDB0251566
Secondary Accession NumbersNone
Metabolite Identification
Common NameDodecanamide
DescriptionDodecanamide, also known as lauramide, belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine. Thus, dodecanamide is considered to be a fatty amide. Based on a literature review a significant number of articles have been published on Dodecanamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). Dodecanamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Dodecanamide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0251566 (Dodecanamide)

  Mrv1652309112110562D          

 14 13  0  0  0  0            999 V2000
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 N   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 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
Download

3D MOL for HMDB0251566 (Dodecanamide)

HMDB0251566
     RDKit          3D
Dodecanamide
 39 38  0  0  0  0  0  0  0  0999 V2000
   -5.6426   -1.2143   -0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2218   -0.0877    0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7386   -0.1228    0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9831    0.0064   -0.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4738   -0.0220   -0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0096    1.0882    0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788    1.0486    0.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9284   -0.2252    1.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569   -0.2194    1.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1478   -0.0769    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6487   -0.0788    0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3849    0.0599   -1.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002    0.0772   -1.0089 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7561    0.1593   -2.0961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4160   -2.1736   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7529   -1.1503   -0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2410   -1.0912   -1.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4280    0.8998   -0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8053   -0.1348    1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4494   -0.9778    1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5393    0.7987    1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2154    0.9676   -1.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2329   -0.8123   -1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240    0.1059   -1.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1757   -1.0369   -0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    2.0488   -0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340    1.1085    1.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8972    1.1422   -0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8489    1.9458    1.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6357   -1.0763    0.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4453   -0.3566    2.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054   -1.1878    1.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7016    0.5779    2.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9158    0.9489   -0.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287   -0.8781   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718   -1.0036    0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9142    0.7747    0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3575    0.1532   -1.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    0.0146   -0.1155 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  1  0
 12 14  2  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
 13 38  1  0
 13 39  1  0
M  END
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3D SDF for HMDB0251566 (Dodecanamide)

  Mrv1652309112110562D          

 14 13  0  0  0  0            999 V2000
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 N   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 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0251566

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCCCCC(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)

> <INCHI_KEY>
ILRSCQWREDREME-UHFFFAOYSA-N

> <FORMULA>
C12H25NO

> <MOLECULAR_WEIGHT>
199.338

> <EXACT_MASS>
199.193614429

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
26.226229905081624

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
dodecanamide

> <ALOGPS_LOGP>
4.95

> <JCHEM_LOGP>
3.6713655039999997

> <ALOGPS_LOGS>
-4.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.883920541768287

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3815449951119882

> <JCHEM_POLAR_SURFACE_AREA>
43.09

> <JCHEM_REFRACTIVITY>
60.5018

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.10e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dodecanamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0251566 (Dodecanamide)

HMDB0251566
     RDKit          3D
Dodecanamide
 39 38  0  0  0  0  0  0  0  0999 V2000
   -5.6426   -1.2143   -0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2218   -0.0877    0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7386   -0.1228    0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9831    0.0064   -0.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4738   -0.0220   -0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0096    1.0882    0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788    1.0486    0.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9284   -0.2252    1.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569   -0.2194    1.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1478   -0.0769    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6487   -0.0788    0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3849    0.0599   -1.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8002    0.0772   -1.0089 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7561    0.1593   -2.0961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4160   -2.1736   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7529   -1.1503   -0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2410   -1.0912   -1.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4280    0.8998   -0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8053   -0.1348    1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4494   -0.9778    1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5393    0.7987    1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2154    0.9676   -1.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2329   -0.8123   -1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240    0.1059   -1.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1757   -1.0369   -0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    2.0488   -0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340    1.1085    1.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8972    1.1422   -0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8489    1.9458    1.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6357   -1.0763    0.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4453   -0.3566    2.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054   -1.1878    1.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7016    0.5779    2.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9158    0.9489   -0.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287   -0.8781   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9718   -1.0036    0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9142    0.7747    0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3575    0.1532   -1.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    0.0146   -0.1155 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  1  0
 12 14  2  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
 13 38  1  0
 13 39  1  0
M  END
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PDB for HMDB0251566 (Dodecanamide)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      10.216   7.438   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.884   7.438   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.217   6.668   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      15.551   7.438   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.885   6.668   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      18.218   7.438   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      19.552   6.668   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      20.886   7.438   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      22.219   6.668   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      23.553   7.438   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      24.887   6.668   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      26.220   7.438   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0      24.887   5.128   0.000  0.00  0.00           N+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   13   14                                                  
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 HMDB0251566 (Dodecanamide)

COMPND    HMDB0251566
HETATM    1  C1  UNL     1      -5.643  -1.214  -0.629  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.222  -0.088   0.288  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.739  -0.123   0.580  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.983   0.006  -0.713  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.474  -0.022  -0.506  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.010   1.088   0.372  1.00  0.00           C  
HETATM    7  C7  UNL     1       0.479   1.049   0.530  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.928  -0.225   1.160  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.457  -0.219   1.340  1.00  0.00           C  
HETATM   10  C10 UNL     1       3.148  -0.077   0.020  1.00  0.00           C  
HETATM   11  C11 UNL     1       4.649  -0.079   0.247  1.00  0.00           C  
HETATM   12  C12 UNL     1       5.385   0.060  -1.027  1.00  0.00           C  
HETATM   13  N1  UNL     1       6.800   0.077  -1.009  1.00  0.00           N  
HETATM   14  O1  UNL     1       4.756   0.159  -2.096  1.00  0.00           O  
HETATM   15  H1  UNL     1      -5.416  -2.174  -0.148  1.00  0.00           H  
HETATM   16  H2  UNL     1      -6.753  -1.150  -0.714  1.00  0.00           H  
HETATM   17  H3  UNL     1      -5.241  -1.091  -1.640  1.00  0.00           H  
HETATM   18  H4  UNL     1      -5.428   0.900  -0.189  1.00  0.00           H  
HETATM   19  H5  UNL     1      -5.805  -0.135   1.217  1.00  0.00           H  
HETATM   20  H6  UNL     1      -3.449  -0.978   1.186  1.00  0.00           H  
HETATM   21  H7  UNL     1      -3.539   0.799   1.200  1.00  0.00           H  
HETATM   22  H8  UNL     1      -3.215   0.968  -1.207  1.00  0.00           H  
HETATM   23  H9  UNL     1      -3.233  -0.812  -1.404  1.00  0.00           H  
HETATM   24  H10 UNL     1      -1.024   0.106  -1.510  1.00  0.00           H  
HETATM   25  H11 UNL     1      -1.176  -1.037  -0.120  1.00  0.00           H  
HETATM   26  H12 UNL     1      -1.275   2.049  -0.124  1.00  0.00           H  
HETATM   27  H13 UNL     1      -1.534   1.109   1.358  1.00  0.00           H  
HETATM   28  H14 UNL     1       0.897   1.142  -0.515  1.00  0.00           H  
HETATM   29  H15 UNL     1       0.849   1.946   1.100  1.00  0.00           H  
HETATM   30  H16 UNL     1       0.636  -1.076   0.523  1.00  0.00           H  
HETATM   31  H17 UNL     1       0.445  -0.357   2.148  1.00  0.00           H  
HETATM   32  H18 UNL     1       2.705  -1.188   1.787  1.00  0.00           H  
HETATM   33  H19 UNL     1       2.702   0.578   2.056  1.00  0.00           H  
HETATM   34  H20 UNL     1       2.916   0.949  -0.372  1.00  0.00           H  
HETATM   35  H21 UNL     1       2.829  -0.878  -0.653  1.00  0.00           H  
HETATM   36  H22 UNL     1       4.972  -1.004   0.764  1.00  0.00           H  
HETATM   37  H23 UNL     1       4.914   0.775   0.902  1.00  0.00           H  
HETATM   38  H24 UNL     1       7.358   0.153  -1.888  1.00  0.00           H  
HETATM   39  H25 UNL     1       7.335   0.015  -0.116  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   14   14
CONECT   13   38   39
END
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SMILES for HMDB0251566 (Dodecanamide)

CCCCCCCCCCCC(N)=O
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INCHI for HMDB0251566 (Dodecanamide)

InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
LauramideChEBI
Chemical FormulaC12H25NO
Average Molecular Weight199.338
Monoisotopic Molecular Weight199.193614429
IUPAC Namedodecanamide
Traditional Namedodecanamide
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCC(N)=O
InChI Identifier
InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)
InChI KeyILRSCQWREDREME-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty amides
Direct ParentFatty amides
Alternative Parents
Substituents
  • Fatty amide
  • Primary carboxylic acid amide
  • Carboxamide group
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDC00037063
Chemspider ID13618
KEGG Compound IDC13831
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14256
PDB IDNot Available
ChEBI ID34726
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1301001
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Enzymes

Enzyme Details
1. Peptidyl-glycine alpha-amidating monooxygenase
General function:
Involved in monooxygenase activity
Specific function:
Bifunctional enzyme that catalyzes 2 sequential steps in C-terminal alpha-amidation of peptides. The monooxygenase part produces an unstable peptidyl(2-hydroxyglycine) intermediate that is dismutated to glyoxylate and the corresponding desglycine peptide amide by the lyase part. C-terminal amidation of peptides such as neuropeptides is essential for full biological activity.
Gene Name:
PAM
Uniprot ID:
P19021
Molecular weight:
108402.425