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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2009-04-06 16:22:08 UTC

Update Date

2022-03-07 02:51:22 UTC

HMDB ID

HMDB0012273

Secondary Accession Numbers

HMDB12273

Metabolite Identification

Common Name

Palmitic amide

Description

Palmitic amide is a primary fatty acid amide coming from Palmitic acid (C16:0). Primary fatty acid amides (R-CO-NH2) is a class of compounds that have only recently been isolated and characterized from biological sources. Key questions remain regarding how these lipid amides are produced and degraded in biological systems. (PMID 15282088 ). Fatty acid amides lies in the competition with endocannabinoids for binding to the active site of the enzyme and thus in increasing the concentration of endocannabinoids, by preventing their degradation.It can be used as a marker of disease in subjects, e.g. first-onset, drug-naive patients; the disease may be, for example, schizophrenia, paranoid schizophrenia or an affective disorder.The metabolic network of primary fatty acid amides is more severely altered in affective disorder than in first onset, paranoid schizophrenia.

Structure

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

HMDB0012273
     RDKit          3D
Palmitic amide
 51 50  0  0  0  0  0  0  0  0999 V2000
    5.9938   -1.1261   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9676   -1.8397    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7024   -2.1146   -0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231   -0.8882   -0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6314    0.0666    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9499    1.2825   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600    2.2403    0.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243    1.6347    1.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6444    1.1863    1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2893    2.3500    0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5489    2.0780   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017    1.2297   -1.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1789   -0.1794   -1.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -1.0147   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3997   -1.0673   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651   -1.8982    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4840   -2.1255    0.4346 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3831   -2.4176    1.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617   -1.8677   -0.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8048   -0.7664    0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5961   -0.2565   -0.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.3446    1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4206   -2.8422    0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0248   -2.6797    0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350   -2.7756   -1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527   -0.4081   -1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0736   -1.2054   -1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    0.3984    0.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9960   -0.4037    1.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6265    1.8000   -0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353    0.9572   -0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    3.1805    0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5298    2.4092    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2584    2.4100    2.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0311    0.8000    2.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486    0.7931    1.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3637    0.3340    0.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540    3.0616    1.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997    2.9297   -0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2733    1.6937    0.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9501    3.0995   -0.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244    1.6736   -2.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6624    1.2088   -1.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1060   -0.3512   -1.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5374   -0.6428   -2.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4630   -2.0378   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8147   -0.6796    0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7814   -0.0298   -0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5783   -1.4600   -1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9557   -1.9765   -0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0226   -2.4184    1.2566 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
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  6 31  1  0
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 15 49  1  0
 17 50  1  0
 17 51  1  0
M  END


  Mrv0541 02241203542D          

 18 17  0  0  0  0            999 V2000
    4.4582  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1727  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8871  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6016  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3161  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0305  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7451  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4595  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1740  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8885  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6030  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3174  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0319  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7464  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4609  -16.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1754  -17.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8898  -16.6287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1754  -17.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0012273

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCCCCCCCCC(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)

> <INCHI_KEY>
HSEMFIZWXHQJAE-UHFFFAOYSA-N

> <FORMULA>
C16H33NO

> <MOLECULAR_WEIGHT>
255.4393

> <EXACT_MASS>
255.256214683

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
34.74664164092993

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
hexadecanamide

> <ALOGPS_LOGP>
6.59

> <JCHEM_LOGP>
5.449640164

> <ALOGPS_LOGS>
-6.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.88392054176838

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5790839092476204

> <JCHEM_POLAR_SURFACE_AREA>
43.09

> <JCHEM_REFRACTIVITY>
78.90579999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.22e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cetamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0012273
     RDKit          3D
Palmitic amide
 51 50  0  0  0  0  0  0  0  0999 V2000
    5.9938   -1.1261   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9676   -1.8397    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7024   -2.1146   -0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231   -0.8882   -0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6314    0.0666    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9499    1.2825   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600    2.2403    0.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243    1.6347    1.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6444    1.1863    1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2893    2.3500    0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5489    2.0780   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017    1.2297   -1.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1789   -0.1794   -1.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -1.0147   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3997   -1.0673   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651   -1.8982    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4840   -2.1255    0.4346 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3831   -2.4176    1.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617   -1.8677   -0.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8048   -0.7664    0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5961   -0.2565   -0.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.3446    1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4206   -2.8422    0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0248   -2.6797    0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350   -2.7756   -1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527   -0.4081   -1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0736   -1.2054   -1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    0.3984    0.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9960   -0.4037    1.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6265    1.8000   -0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353    0.9572   -0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    3.1805    0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5298    2.4092    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2584    2.4100    2.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0311    0.8000    2.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486    0.7931    1.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3637    0.3340    0.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540    3.0616    1.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997    2.9297   -0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2733    1.6937    0.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9501    3.0995   -0.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244    1.6736   -2.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6624    1.2088   -1.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1060   -0.3512   -1.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5374   -0.6428   -2.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4630   -2.0378   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8147   -0.6796    0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7814   -0.0298   -0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5783   -1.4600   -1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9557   -1.9765   -0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0226   -2.4184    1.2566 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
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  6 31  1  0
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 15 49  1  0
 17 50  1  0
 17 51  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       8.322 -31.040   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.656 -31.810   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.989 -31.040   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.323 -31.810   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.657 -31.040   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.990 -31.810   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.324 -31.040   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      17.658 -31.810   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      18.991 -31.040   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      20.325 -31.810   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      21.659 -31.040   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      22.992 -31.810   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      24.326 -31.040   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      25.660 -31.810   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      26.994 -31.040   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      28.327 -31.810   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      29.661 -31.040   0.000  0.00  0.00           N+0
HETATM   18  O   UNK     0      28.327 -33.350   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   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   34    0
END

COMPND    HMDB0012273
HETATM    1  C1  UNL     1       5.994  -1.126  -0.305  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.968  -1.840   0.547  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.702  -2.115  -0.205  1.00  0.00           C  
HETATM    4  C4  UNL     1       3.023  -0.888  -0.713  1.00  0.00           C  
HETATM    5  C5  UNL     1       2.631   0.067   0.394  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.950   1.282  -0.196  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.560   2.240   0.914  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.624   1.635   1.895  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.644   1.186   1.165  1.00  0.00           C  
HETATM   10  C10 UNL     1      -1.289   2.350   0.538  1.00  0.00           C  
HETATM   11  C11 UNL     1      -2.549   2.078  -0.179  1.00  0.00           C  
HETATM   12  C12 UNL     1      -2.602   1.230  -1.374  1.00  0.00           C  
HETATM   13  C13 UNL     1      -2.179  -0.179  -1.280  1.00  0.00           C  
HETATM   14  C14 UNL     1      -2.918  -1.015  -0.263  1.00  0.00           C  
HETATM   15  C15 UNL     1      -4.400  -1.067  -0.562  1.00  0.00           C  
HETATM   16  C16 UNL     1      -5.065  -1.898   0.466  1.00  0.00           C  
HETATM   17  N1  UNL     1      -6.484  -2.126   0.435  1.00  0.00           N  
HETATM   18  O1  UNL     1      -4.383  -2.418   1.387  1.00  0.00           O  
HETATM   19  H1  UNL     1       6.462  -1.868  -0.965  1.00  0.00           H  
HETATM   20  H2  UNL     1       6.805  -0.766   0.385  1.00  0.00           H  
HETATM   21  H3  UNL     1       5.596  -0.257  -0.827  1.00  0.00           H  
HETATM   22  H4  UNL     1       4.810  -1.345   1.517  1.00  0.00           H  
HETATM   23  H5  UNL     1       5.421  -2.842   0.791  1.00  0.00           H  
HETATM   24  H6  UNL     1       3.025  -2.680   0.467  1.00  0.00           H  
HETATM   25  H7  UNL     1       3.935  -2.776  -1.050  1.00  0.00           H  
HETATM   26  H8  UNL     1       3.653  -0.408  -1.459  1.00  0.00           H  
HETATM   27  H9  UNL     1       2.074  -1.205  -1.201  1.00  0.00           H  
HETATM   28  H10 UNL     1       3.573   0.398   0.873  1.00  0.00           H  
HETATM   29  H11 UNL     1       1.996  -0.404   1.152  1.00  0.00           H  
HETATM   30  H12 UNL     1       2.626   1.800  -0.910  1.00  0.00           H  
HETATM   31  H13 UNL     1       1.035   0.957  -0.775  1.00  0.00           H  
HETATM   32  H14 UNL     1       1.267   3.180   0.458  1.00  0.00           H  
HETATM   33  H15 UNL     1       2.530   2.409   1.478  1.00  0.00           H  
HETATM   34  H16 UNL     1       0.258   2.410   2.625  1.00  0.00           H  
HETATM   35  H17 UNL     1       1.031   0.800   2.469  1.00  0.00           H  
HETATM   36  H18 UNL     1      -1.349   0.793   1.951  1.00  0.00           H  
HETATM   37  H19 UNL     1      -0.364   0.334   0.570  1.00  0.00           H  
HETATM   38  H20 UNL     1      -1.554   3.062   1.389  1.00  0.00           H  
HETATM   39  H21 UNL     1      -0.600   2.930  -0.142  1.00  0.00           H  
HETATM   40  H22 UNL     1      -3.273   1.694   0.633  1.00  0.00           H  
HETATM   41  H23 UNL     1      -2.950   3.100  -0.494  1.00  0.00           H  
HETATM   42  H24 UNL     1      -2.024   1.674  -2.246  1.00  0.00           H  
HETATM   43  H25 UNL     1      -3.662   1.209  -1.819  1.00  0.00           H  
HETATM   44  H26 UNL     1      -1.106  -0.351  -1.350  1.00  0.00           H  
HETATM   45  H27 UNL     1      -2.537  -0.643  -2.298  1.00  0.00           H  
HETATM   46  H28 UNL     1      -2.463  -2.038  -0.312  1.00  0.00           H  
HETATM   47  H29 UNL     1      -2.815  -0.680   0.770  1.00  0.00           H  
HETATM   48  H30 UNL     1      -4.781  -0.030  -0.441  1.00  0.00           H  
HETATM   49  H31 UNL     1      -4.578  -1.460  -1.582  1.00  0.00           H  
HETATM   50  H32 UNL     1      -6.956  -1.976  -0.482  1.00  0.00           H  
HETATM   51  H33 UNL     1      -7.023  -2.418   1.257  1.00  0.00           H  
CONECT    1    2   19   20   21
CONECT    2    3   22   23
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6   28   29
CONECT    6    7   30   31
CONECT    7    8   32   33
CONECT    8    9   34   35
CONECT    9   10   36   37
CONECT   10   11   38   39
CONECT   11   12   40   41
CONECT   12   13   42   43
CONECT   13   14   44   45
CONECT   14   15   46   47
CONECT   15   16   48   49
CONECT   16   17   18   18
CONECT   17   50   51
END

HMDB0012273
     RDKit          3D
Palmitic amide
 51 50  0  0  0  0  0  0  0  0999 V2000
    5.9938   -1.1261   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9676   -1.8397    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7024   -2.1146   -0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231   -0.8882   -0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6314    0.0666    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9499    1.2825   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600    2.2403    0.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243    1.6347    1.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6444    1.1863    1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2893    2.3500    0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5489    2.0780   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017    1.2297   -1.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1789   -0.1794   -1.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -1.0147   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3997   -1.0673   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651   -1.8982    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4840   -2.1255    0.4346 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3831   -2.4176    1.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617   -1.8677   -0.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8048   -0.7664    0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5961   -0.2565   -0.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.3446    1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4206   -2.8422    0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0248   -2.6797    0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350   -2.7756   -1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527   -0.4081   -1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0736   -1.2054   -1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    0.3984    0.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9960   -0.4037    1.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6265    1.8000   -0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0353    0.9572   -0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    3.1805    0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5298    2.4092    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2584    2.4100    2.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0311    0.8000    2.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486    0.7931    1.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3637    0.3340    0.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540    3.0616    1.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997    2.9297   -0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2733    1.6937    0.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9501    3.0995   -0.4945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244    1.6736   -2.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6624    1.2088   -1.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1060   -0.3512   -1.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5374   -0.6428   -2.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4630   -2.0378   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8147   -0.6796    0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7814   -0.0298   -0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5783   -1.4600   -1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9557   -1.9765   -0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0226   -2.4184    1.2566 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
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  6 31  1  0
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 15 49  1  0
 17 50  1  0
 17 51  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Amide 16	ChEBI
Cetyl amide	ChEBI
Palmitamide	ChEBI
Amide HPL	HMDB
Hexadecanamide	HMDB
N-Hexadecanamide	HMDB
Palmitamide (acd/name 4.0)	HMDB
Palmitic acid amide	HMDB
Palmityl amide	HMDB
Palmitic amide	ChEBI

Chemical Formula

C₁₆H₃₃NO

Average Molecular Weight

255.4393

Monoisotopic Molecular Weight

255.256214683

IUPAC Name

hexadecanamide

Traditional Name

cetamide

CAS Registry Number

629-54-9

SMILES

CCCCCCCCCCCCCCCC(N)=O

InChI Identifier

InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)

InChI Key

HSEMFIZWXHQJAE-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.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty amides

Direct Parent

Fatty 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 Framework

Aliphatic acyclic compounds

External Descriptors

fatty amide (CHEBI:74475 )
Primary amides (LMFA08010009 )
a small molecule (CPD6666-3 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cytoplasm (HMDB: HMDB0012273)
Cell membrane (HMDB: HMDB0012273)

Biofluid or Excreta

Urine (HMDB: HMDB0012273)

Excreta

Feces (PMID: 27015276)

Cellular substructure

Extracellular (HMDB: HMDB0012273)
Membrane (HMDB: HMDB0012273)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0012273)

Source

Endogenous

Endogenous (HMDB: HMDB0012273)

Plant

Plant (HMDB: HMDB0012273)

Animal

Animal (HMDB: HMDB0012273)

Exogenous

Food

Food (HMDB: HMDB0012273)

Fruit

Pome

Pomes (FooDB: FOOD00856)

Animal origin

Poultry

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

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Equine

Horse (FooDB: FOOD00378)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0012273)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0012273)

Cellular process

Cell signaling (HMDB: HMDB0012273)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0012273)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0012273)

Nutrient

Nutrient (HMDB: HMDB0012273)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0012273)

Emulsifier (HMDB: HMDB0012273)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	107.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Boiling Point	392.40 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	0.29 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	6.200 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.00022 g/L	ALOGPS
logP	6.59	ALOGPS
logP	5.45	ChemAxon
logS	-6.1	ALOGPS
pKa (Strongest Acidic)	16.88	ChemAxon
pKa (Strongest Basic)	-0.58	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	43.09 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	78.91 m³·mol⁻¹	ChemAxon
Polarizability	34.75 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	167.334	31661259
DarkChem	[M-H]-	167.732	31661259
DeepCCS	[M+H]+	173.14	30932474
DeepCCS	[M-H]-	169.121	30932474
DeepCCS	[M-2H]-	206.511	30932474
DeepCCS	[M+Na]+	182.253	30932474
AllCCS	[M+H]+	172.3	32859911
AllCCS	[M+H-H2O]+	169.1	32859911
AllCCS	[M+NH4]+	175.2	32859911
AllCCS	[M+Na]+	176.0	32859911
AllCCS	[M-H]-	171.3	32859911
AllCCS	[M+Na-2H]-	172.4	32859911
AllCCS	[M+HCOO]-	173.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Palmitic amide	CCCCCCCCCCCCCCCC(N)=O	3135.8	Standard polar	33892256
Palmitic amide	CCCCCCCCCCCCCCCC(N)=O	2131.1	Standard non polar	33892256
Palmitic amide	CCCCCCCCCCCCCCCC(N)=O	2190.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Palmitic amide,1TMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N[Si](C)(C)C	2233.1	Semi standard non polar	33892256
Palmitic amide,1TMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N[Si](C)(C)C	2151.0	Standard non polar	33892256
Palmitic amide,1TMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N[Si](C)(C)C	2411.7	Standard polar	33892256
Palmitic amide,2TMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C	2340.3	Semi standard non polar	33892256
Palmitic amide,2TMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C	2312.8	Standard non polar	33892256
Palmitic amide,2TMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C	2248.9	Standard polar	33892256
Palmitic amide,1TBDMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N[Si](C)(C)C(C)(C)C	2435.0	Semi standard non polar	33892256
Palmitic amide,1TBDMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N[Si](C)(C)C(C)(C)C	2358.3	Standard non polar	33892256
Palmitic amide,1TBDMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N[Si](C)(C)C(C)(C)C	2469.6	Standard polar	33892256
Palmitic amide,2TBDMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2770.3	Semi standard non polar	33892256
Palmitic amide,2TBDMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2667.7	Standard non polar	33892256
Palmitic amide,2TBDMS,isomer #1	CCCCCCCCCCCCCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2467.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Palmitic amide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9610000000-598f492c2cd776499b4c	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Palmitic amide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 10V, Positive-QTOF	splash10-0a4r-0090000000-3c9f141c75066a239892	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 20V, Positive-QTOF	splash10-000i-3490000000-e6606289d705029001b4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 40V, Positive-QTOF	splash10-052f-9500000000-07907a7380a4835de91f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 10V, Negative-QTOF	splash10-0udi-0090000000-890f7bbcaaf1db47945d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 20V, Negative-QTOF	splash10-0udi-4090000000-82ac387d22ca75f67242	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 40V, Negative-QTOF	splash10-0006-9000000000-debec9f69c4564bc98db	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 10V, Positive-QTOF	splash10-0a4i-2090000000-e0be3fd37dbd248724dc	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 20V, Positive-QTOF	splash10-0a4i-9330000000-85bbd73ab27ae78eb812	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 40V, Positive-QTOF	splash10-0a4l-9000000000-34946d94faa688e18efc	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 10V, Negative-QTOF	splash10-0udi-0090000000-4554907a5632f4ee99fe	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 20V, Negative-QTOF	splash10-0006-9040000000-a03004303f9e9bc316dc	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Palmitic amide 40V, Negative-QTOF	splash10-0006-9000000000-90726b17dc36e29c5299	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Feces

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	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	25037050	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	27015276	details

Associated Disorders and Diseases

Disease References

Colorectal cancer

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 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB011671

KNApSAcK ID

C00037269

Chemspider ID

62629

KEGG Compound ID

Not Available

BioCyc ID

CPD6666-3

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

69421

PDB ID

Not Available

ChEBI ID

74475

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1634641

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Carpenter T, Poore DD, Gee AJ, Deshpande P, Merkler DJ, Johnson ME: Use of reversed phase HP liquid chromatography to assay conversion of N-acylglycines to primary fatty acid amides by peptidylglycine-alpha-amidating monooxygenase. J Chromatogr B Analyt Technol Biomed Life Sci. 2004 Sep 25;809(1):15-21. [PubMed:15282088 ]
Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for Palmitic amide (HMDB0012273)

MOL for HMDB0012273 (Palmitic amide)

3D MOL for HMDB0012273 (Palmitic amide)

3D SDF for HMDB0012273 (Palmitic amide)

3D-SDF for HMDB0012273 (Palmitic amide)

PDB for HMDB0012273 (Palmitic amide)

3D PDB for HMDB0012273 (Palmitic amide)

SMILES for HMDB0012273 (Palmitic amide)

INCHI for HMDB0012273 (Palmitic amide)

Structure for HMDB0012273 (Palmitic amide)

3D Structure for HMDB0012273 (Palmitic amide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra