NP-MRD: Showing NP-Card for Palmitic acid (NP0000371)

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Record Information

Version

1.0

Created at

2005-11-16 15:48:42 UTC

Updated at

2021-10-07 20:41:53 UTC

NP-MRD ID

NP0000371

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Palmitic acid

Description

Palmitic acid, or hexadecanoic acid, is one of the most common saturated fatty acids found in animals, plants, and microorganisms. As its name indicates, it is a major component of the oil from the fruit of oil palms (palm oil). Excess carbohydrates in the body are converted to palmitic acid. Palmitic acid is the first fatty acid produced during fatty acid synthesis and is the precursor to longer fatty acids. As a consequence, palmitic acid is a major body component of animals. In humans, one analysis found it to make up 21–30% (molar) of human depot fat (PMID: 13756126 ), And it is a major, but highly variable, lipid component of human breast milk (PMID: 352132 ). Palmitic acid is used to produce soaps, cosmetics, and industrial mould release agents. These applications use sodium palmitate, which is commonly obtained by saponification of palm oil. To this end, palm oil, rendered from palm tree (species Elaeis guineensis), is treated with sodium hydroxide (in the form of caustic soda or lye), which causes hydrolysis of the ester groups, yielding glycerol and sodium palmitate. Aluminium salts of palmitic acid and naphthenic acid were combined during World War II to produce napalm. The word "napalm" is derived from the words naphthenic acid and palmitic acid (Wikipedia). Palmitic acid is also used in the determination of water hardness and is a surfactant of Levovist, an intravenous ultrasonic contrast agent.

Structure

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

HMDB0000220
     RDKit          3D
Palmitic acid
 50 49  0  0  0  0  0  0  0  0999 V2000
   -3.5104   -0.8661   -3.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3981   -0.0759   -1.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7882    0.0744   -1.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0815    0.8250    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5592    0.4304    1.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0930    0.4086    1.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4410    1.7570    1.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9726    1.7322    1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1947    0.7739    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2609    0.9118    1.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534   -0.0113    0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    0.2120    0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5892   -0.6495    0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6101   -0.3841   -1.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6113   -1.1957   -2.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3084   -2.6249   -1.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168   -3.0517   -1.3756 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573   -3.5467   -2.5893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8536   -0.1120   -3.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2264   -1.6901   -2.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213   -1.2600   -3.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8609    0.8581   -1.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379   -0.7713   -1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2330   -0.9757   -1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3614    0.5655   -2.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2313    0.8393    0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8734    1.9228   -0.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9264   -0.6116    1.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0200    1.0972    2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.3755    1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.2740    2.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8898    2.4522    2.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7126    2.1628    0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    1.4022    2.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5399    2.7406    1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348   -0.2660    0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2374    1.0572   -0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867    0.6731    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5689    1.9398    0.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8809   -1.0656    0.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273    0.2761   -0.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448    0.0139    1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8916    1.2650    0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5745   -0.3091    0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4872   -1.6899    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6106   -0.6106   -1.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8784    0.6862   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6623   -0.9641   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946   -0.8949   -3.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4882   -3.3484   -3.5125 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  2  0
 16 18  1  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
 18 50  1  0
M  END


  Mrv1652309272007342D          

 18 17  0  0  0  0            999 V2000
   19.3778    4.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6634    4.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9490    4.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2345    4.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5202    4.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8058    4.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0913    4.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3770    4.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6626    4.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9481    4.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2338    4.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5193    4.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8049    4.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0904    4.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3760    4.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6617    4.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9473    4.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6617    5.4132    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 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0000371

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

> <INCHI_KEY>
IPCSVZSSVZVIGE-UHFFFAOYSA-N

> <FORMULA>
C16H32O2

> <MOLECULAR_WEIGHT>
256.4241

> <EXACT_MASS>
256.240230268

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
34.35684664668638

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexadecanoic acid

> <ALOGPS_LOGP>
7.23

> <JCHEM_LOGP>
6.256582777666667

> <ALOGPS_LOGS>
-5.80

> <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>
77.08359999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.07e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
palmitic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000220
     RDKit          3D
Palmitic acid
 50 49  0  0  0  0  0  0  0  0999 V2000
   -3.5104   -0.8661   -3.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3981   -0.0759   -1.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7882    0.0744   -1.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0815    0.8250    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5592    0.4304    1.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0930    0.4086    1.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4410    1.7570    1.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9726    1.7322    1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1947    0.7739    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2609    0.9118    1.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534   -0.0113    0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    0.2120    0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5892   -0.6495    0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6101   -0.3841   -1.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6113   -1.1957   -2.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3084   -2.6249   -1.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168   -3.0517   -1.3756 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573   -3.5467   -2.5893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8536   -0.1120   -3.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2264   -1.6901   -2.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213   -1.2600   -3.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8609    0.8581   -1.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379   -0.7713   -1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2330   -0.9757   -1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3614    0.5655   -2.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2313    0.8393    0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8734    1.9228   -0.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9264   -0.6116    1.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0200    1.0972    2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.3755    1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.2740    2.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8898    2.4522    2.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7126    2.1628    0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    1.4022    2.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5399    2.7406    1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348   -0.2660    0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2374    1.0572   -0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867    0.6731    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5689    1.9398    0.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8809   -1.0656    0.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273    0.2761   -0.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448    0.0139    1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8916    1.2650    0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5745   -0.3091    0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4872   -1.6899    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6106   -0.6106   -1.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8784    0.6862   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6623   -0.9641   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946   -0.8949   -3.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4882   -3.3484   -3.5125 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  2  0
 16 18  1  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
 18 50  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      36.172   7.795   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      34.838   8.565   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      33.505   7.795   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      32.171   8.565   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      30.838   7.795   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      29.504   8.565   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      28.170   7.795   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      26.837   8.565   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      25.504   7.795   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      24.170   8.565   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      22.836   7.795   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      21.503   8.565   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      20.169   7.795   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.835   8.565   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.502   7.795   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.169   8.565   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      14.835   7.795   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      16.169  10.105   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    HMDB0000220
HETATM    1  C1  UNL     1      -3.510  -0.866  -3.010  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.398  -0.076  -1.671  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.788   0.074  -1.193  1.00  0.00           C  
HETATM    4  C4  UNL     1      -5.082   0.825   0.031  1.00  0.00           C  
HETATM    5  C5  UNL     1      -4.559   0.430   1.341  1.00  0.00           C  
HETATM    6  C6  UNL     1      -3.093   0.409   1.583  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.441   1.757   1.338  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.973   1.732   1.586  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.195   0.774   0.728  1.00  0.00           C  
HETATM   10  C10 UNL     1       1.261   0.912   1.137  1.00  0.00           C  
HETATM   11  C11 UNL     1       2.153  -0.011   0.336  1.00  0.00           C  
HETATM   12  C12 UNL     1       3.561   0.212   0.825  1.00  0.00           C  
HETATM   13  C13 UNL     1       4.589  -0.649   0.125  1.00  0.00           C  
HETATM   14  C14 UNL     1       4.610  -0.384  -1.340  1.00  0.00           C  
HETATM   15  C15 UNL     1       5.611  -1.196  -2.115  1.00  0.00           C  
HETATM   16  C16 UNL     1       5.308  -2.625  -1.994  1.00  0.00           C  
HETATM   17  O1  UNL     1       4.317  -3.052  -1.376  1.00  0.00           O  
HETATM   18  O2  UNL     1       6.157  -3.547  -2.589  1.00  0.00           O  
HETATM   19  H1  UNL     1      -3.854  -0.112  -3.743  1.00  0.00           H  
HETATM   20  H2  UNL     1      -4.226  -1.690  -2.853  1.00  0.00           H  
HETATM   21  H3  UNL     1      -2.521  -1.260  -3.270  1.00  0.00           H  
HETATM   22  H4  UNL     1      -2.861   0.858  -1.883  1.00  0.00           H  
HETATM   23  H5  UNL     1      -2.838  -0.771  -1.005  1.00  0.00           H  
HETATM   24  H6  UNL     1      -5.233  -0.976  -1.168  1.00  0.00           H  
HETATM   25  H7  UNL     1      -5.361   0.566  -2.037  1.00  0.00           H  
HETATM   26  H8  UNL     1      -6.231   0.839   0.106  1.00  0.00           H  
HETATM   27  H9  UNL     1      -4.873   1.923  -0.184  1.00  0.00           H  
HETATM   28  H10 UNL     1      -4.926  -0.612   1.613  1.00  0.00           H  
HETATM   29  H11 UNL     1      -5.020   1.097   2.136  1.00  0.00           H  
HETATM   30  H12 UNL     1      -2.521  -0.376   1.130  1.00  0.00           H  
HETATM   31  H13 UNL     1      -3.003   0.274   2.731  1.00  0.00           H  
HETATM   32  H14 UNL     1      -2.890   2.452   2.079  1.00  0.00           H  
HETATM   33  H15 UNL     1      -2.713   2.163   0.340  1.00  0.00           H  
HETATM   34  H16 UNL     1      -0.841   1.402   2.660  1.00  0.00           H  
HETATM   35  H17 UNL     1      -0.540   2.741   1.553  1.00  0.00           H  
HETATM   36  H18 UNL     1      -0.535  -0.266   0.805  1.00  0.00           H  
HETATM   37  H19 UNL     1      -0.237   1.057  -0.347  1.00  0.00           H  
HETATM   38  H20 UNL     1       1.387   0.673   2.192  1.00  0.00           H  
HETATM   39  H21 UNL     1       1.569   1.940   0.931  1.00  0.00           H  
HETATM   40  H22 UNL     1       1.881  -1.066   0.402  1.00  0.00           H  
HETATM   41  H23 UNL     1       2.127   0.276  -0.756  1.00  0.00           H  
HETATM   42  H24 UNL     1       3.645   0.014   1.911  1.00  0.00           H  
HETATM   43  H25 UNL     1       3.892   1.265   0.684  1.00  0.00           H  
HETATM   44  H26 UNL     1       5.574  -0.309   0.542  1.00  0.00           H  
HETATM   45  H27 UNL     1       4.487  -1.690   0.430  1.00  0.00           H  
HETATM   46  H28 UNL     1       3.611  -0.611  -1.791  1.00  0.00           H  
HETATM   47  H29 UNL     1       4.878   0.686  -1.499  1.00  0.00           H  
HETATM   48  H30 UNL     1       6.662  -0.964  -1.772  1.00  0.00           H  
HETATM   49  H31 UNL     1       5.495  -0.895  -3.185  1.00  0.00           H  
HETATM   50  H32 UNL     1       6.488  -3.348  -3.513  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   17   18
CONECT   18   50
END

HMDB0000220
     RDKit          3D
Palmitic acid
 50 49  0  0  0  0  0  0  0  0999 V2000
   -3.5104   -0.8661   -3.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3981   -0.0759   -1.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7882    0.0744   -1.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0815    0.8250    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5592    0.4304    1.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0930    0.4086    1.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4410    1.7570    1.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9726    1.7322    1.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1947    0.7739    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2609    0.9118    1.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534   -0.0113    0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    0.2120    0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5892   -0.6495    0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6101   -0.3841   -1.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6113   -1.1957   -2.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3084   -2.6249   -1.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168   -3.0517   -1.3756 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573   -3.5467   -2.5893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8536   -0.1120   -3.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2264   -1.6901   -2.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213   -1.2600   -3.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8609    0.8581   -1.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379   -0.7713   -1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2330   -0.9757   -1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3614    0.5655   -2.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2313    0.8393    0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8734    1.9228   -0.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9264   -0.6116    1.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0200    1.0972    2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208   -0.3755    1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0034    0.2740    2.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8898    2.4522    2.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7126    2.1628    0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    1.4022    2.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5399    2.7406    1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348   -0.2660    0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2374    1.0572   -0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867    0.6731    2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5689    1.9398    0.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8809   -1.0656    0.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1273    0.2761   -0.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448    0.0139    1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8916    1.2650    0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5745   -0.3091    0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4872   -1.6899    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6106   -0.6106   -1.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8784    0.6862   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6623   -0.9641   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946   -0.8949   -3.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4882   -3.3484   -3.5125 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  2  0
 16 18  1  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
 18 50  1  0
M  END

View in JSmol

Synonyms

Value	Source
1-Hexyldecanoic acid	ChEBI
1-Pentadecanecarboxylic acid	ChEBI
16:00	ChEBI
C16	ChEBI
C16 Fatty acid	ChEBI
C16:0	ChEBI
Cetylic acid	ChEBI
CH3-[CH2]14-COOH	ChEBI
FA 16:0	ChEBI
Hexadecanoate	ChEBI
Hexadecoic acid	ChEBI
Hexadecylic acid	ChEBI
Hexaectylic acid	ChEBI
N-Hexadecanoic acid	ChEBI
N-Hexadecoic acid	ChEBI
Palmitate	ChEBI
Palmitinic acid	ChEBI
Palmitinsaeure	ChEBI
Pentadecanecarboxylic acid	ChEBI
1-Hexyldecanoate	Generator
1-Pentadecanecarboxylate	Generator
Cetylate	Generator
Hexadecanoic acid	Generator
Hexadecoate	Generator
Hexadecylate	Generator
Hexaectylate	Generator
N-Hexadecanoate	Generator
N-Hexadecoate	Generator
Palmitinate	Generator
Pentadecanecarboxylate	Generator
Edenor C16	HMDB
Emersol 140	HMDB
Emersol 143	HMDB
Glycon p-45	HMDB
Hexadecanoate (N-C16:0)	HMDB
Hexadecanoic acid palmitic acid	HMDB
Hydrofol	HMDB
Hydrofol acid 1690	HMDB
Hystrene 8016	HMDB
Hystrene 9016	HMDB
Industrene 4516	HMDB
Kortacid 1698	HMDB
Loxiol ep 278	HMDB
Lunac p 95	HMDB
Lunac p 95KC	HMDB
Lunac p 98	HMDB
Palmitoate	HMDB
Palmitoic acid	HMDB
PAM	HMDB
PLM	HMDB
Prifac 2960	HMDB
Prifrac 2960	HMDB
Pristerene 4934	HMDB
Univol u332	HMDB
Acid, hexadecanoic	HMDB
Acid, palmitic	HMDB
FA(16:0)	HMDB

Chemical Formula

C₁₆H₃₂O₂

Average Mass

256.4241 Da

Monoisotopic Mass

256.24023 Da

IUPAC Name

hexadecanoic acid

Traditional Name

palmitic acid

CAS Registry Number

57-10-3

SMILES

CCCCCCCCCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

InChI Key

IPCSVZSSVZVIGE-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abelmoschus esculentus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Abies pinsapo	LOTUS Database	35616633
Abramis brama	FooDB	DTU Food
Abrus precatorius	LOTUS Database	35616633
Abutilon indicum	Plant	KNApSAcK
Abutilon ramosum	LOTUS Database	35616633
Acacia polyacantha	LOTUS Database	35616633
Acacia x cedilloi	LOTUS Database	35616633
Acanthochlamys bracteata	LOTUS Database	35616633
Acanthophora spicifera	LOTUS Database	35616633
Acca sellowiana	KNApSAcK Database	22123792
Achillea fragrantissima	LOTUS Database	35616633
Achyranthes aspera	LOTUS Database	35616633
Acinos alpinus	LOTUS Database	35616633
Acipenseridae	FooDB	DTU Food
Aconitum japonicum	LOTUS Database	35616633
Acorus calamus	LOTUS Database	35616633
Acorus calanus L.	KNApSAcK Database	22123792
Actinidia chinensis	FooDB	DTU Food
Aegle marmelos	Plant	KNApSAcK
Aesculus hippocastanum	LOTUS Database	35616633
Aesculus hippocastanum L.	KNApSAcK Database	22123792
Agaricus bisporus	FooDB	DTU Food
Agave	FooDB	FooDB
Agave americana	LOTUS Database	35616633
Agave decipiens	LOTUS Database	35616633
Agelas conifera	LOTUS Database	35616633
Ageratum conyzoides	LOTUS Database	35616633
Ailanthus altissima	KNApSAcK Database	22123792
Ailanthus altissimus	Plant	KNApSAcK
Aleurites moluccana	KNApSAcK Database	22123792
Aleurites moluccanus	Plant	KNApSAcK
Aleurites montana	KNApSAcK Database	22123792
Allium ampeloprasum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium ascalonicum	FooDB	FooDB
Allium cepa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium cepa L.	FooDB	DTU Food
Allium fistulosum	FooDB	FooDB
Allium hirtifolium	Plant	KNApSAcK
Allium obliquum	LOTUS Database	35616633
Allium sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium schoenoprasum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium tuberosum	FooDB	FooDB
Aloysia triphylla	FooDB	FooDB
Alstonia scholaris	LOTUS Database	35616633
Althaea officinalis	LOTUS Database	35616633
Amaranthus	FooDB	USDA
Amaranthus caudatus	LOTUS Database	35616633
Amaranthus paniculatus	LOTUS Database	35616633
Amaranthus retroflexus	LOTUS Database	35616633
Amaranthus tricolor	LOTUS Database	35616633
Amelanchier alnifolia	FooDB	FooDB
Anacardium occidentale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ananas comosus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Anarhichas lupus	FooDB	DTU Food
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	DTU Food
Anethum foeniculum	Plant	KNApSAcK
Anethum graveolens	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Angelica archangelica	LOTUS Database	35616633
Angelica keiskei	FooDB	FooDB
Angelica pubescens	LOTUS Database	35616633
Angelica sinensis	LOTUS Database	35616633
Anguilliformes	FooDB	DTU Food
Anisomeles indica	KNApSAcK Database	22123792
Anisophyllea laurina	LOTUS Database	35616633
Annona cherimola	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Annona macroprophyllata	LOTUS Database	35616633
Annona muricata	FooDB	FooDB
Annona reticulata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Annona squamosa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Anser anser	FooDB	FooDB
Anthemis aciphylla	LOTUS Database	35616633
Anthemis aciphylla BOISS.var.discoidea BOISS	KNApSAcK Database	22123792
Anthriscus cerefolium	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Antirrhinum majus	LOTUS Database	35616633
Aphanamixis polystachya	LOTUS Database	35616633
Apios americana	LOTUS Database	35616633
Apium graveolens	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Apium graveolens var. dulce	FooDB	FooDB
Apium graveolens var. rapaceum	FooDB	DTU Food
Apium graveolens var. secalinum	FooDB	DTU Food
Aplysina fistularis	LOTUS Database	35616633
Arabidopsis thaliana	KNApSAcK Database	22123792
Arachis hypogaea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Aralia decaisneana	LOTUS Database	35616633
Arbacia punctulata	LOTUS Database	35616633
Arctium lappa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Areca catechu	LOTUS Database	35616633
Arisaema tortuosum	LOTUS Database	35616633
Armoracia rusticana	FooDB	DTU Food
Arnica montana	LOTUS Database	35616633
Artemisia anomala	LOTUS Database	35616633
Artemisia dracunculus	FooDB	FooDB
Artemisia monosperma	LOTUS Database	35616633
Artemisia vulgaris	FooDB	FooDB
Artocarpus altilis	FooDB	FooDB
Artocarpus heterophyllus	FooDB	FooDB
Asclepias speciosa	LOTUS Database	35616633
Asclepias syriaca	LOTUS Database	35616633
Asparagus adscendens	LOTUS Database	35616633
Asparagus officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Astacidea	FooDB	DTU Food
Aster scaber	LOTUS Database	35616633
Astragalus hamosus	LOTUS Database	35616633
Atractylodes lancea	LOTUS Database	35616633
Attalea colenda	LOTUS Database	35616633
Attalea speciosa	FooDB	FooDB
Auricularia auricula-judae	FooDB	FooDB
Auricularia polytricha	FooDB	FooDB
Avena sativa L.	FooDB	DTU Food
Averrhoa carambola	KNApSAcK Database	22123792
Azadirachta indica	LOTUS Database	35616633
Azima tetracantha	LOTUS Database	35616633
Balanophora harlandii	LOTUS Database	35616633
Balanophora indica	LOTUS Database	35616633
Basella alba	FooDB	FooDB
Bauhinia purpurea	LOTUS Database	35616633
Bauhinia tomentosa	KNApSAcK Database	22123792
Bellis perennis	LOTUS Database	35616633
Belone belone	FooDB	DTU Food
Benincasa hispida	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Bergera koenegii	-	KNApSAcK
Bertholletia excelsa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Beta vulgaris	FooDB	FooDB
Beta vulgaris ssp. cicla	FooDB	DTU Food
Bison bison	FooDB	FooDB
Bocconia frutescens	LOTUS Database	35616633
Boehmeria holosericea	KNApSAcK Database	22123792
Boehmeria tricuspis	KNApSAcK Database	22123792
Boerhavia diffusa	LOTUS Database	35616633
Bombax ceiba	LOTUS Database	35616633
Borago officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Bos taurus	FooDB	DTU Food
Bos taurus X Bison bison	FooDB	USDA
Botryocladia leptopoda	LOTUS Database	35616633
Brachyura	FooDB	DTU Food
Brassica alboglabra	FooDB	FooDB
Brassica hirta	KNApSAcK Database	22123792
Brassica juncea	FooDB	USDA
Brassica napus	FooDB	DTU Food
Brassica napus var. napus	FooDB	DTU Food
Brassica oleracea	FooDB	DTU Food
Brassica oleracea var. botrytis	FooDB	DTU Food
Brassica oleracea var. capitata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. gemmifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. gongylodes	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. italica	KNApSAcK Database	22123792
Brassica oleracea var. sabauda	FooDB	DTU Food
Brassica oleracea var. viridis	FooDB	FooDB
Brassica rapa	FooDB	DTU Food
Brassica rapa ssp. chinensis	FooDB	DTU Food
Brassica rapa var. pekinensis	FooDB	FooDB
Brassica rapa var. rapa	FooDB	DTU Food
Brassica ruvo	FooDB	FooDB
Bredemeyera brevifolia	LOTUS Database	35616633
Bridelia ferruginea	LOTUS Database	35616633
Brosimum alicastrum	FooDB	FooDB
Brunfelsia americana	LOTUS Database	35616633
Bryonia alba	LOTUS Database	35616633
Bubalus bubalis	FooDB	FooDB
Byrsonima crassifolia	FooDB	FooDB
Cachrys sicula	LOTUS Database	35616633
Cajanus cajan	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Callyspongia fallax	LOTUS Database	35616633
Calophyllum calaba	KNApSAcK Database	22123792
Calophyllum inophyllum	KNApSAcK Database	22123792
Camellia sinensis	LOTUS Database	35616633
Canarium album	LOTUS Database	35616633
Canarium ovatum	FooDB	FooDB
Canavalia ensiformis	LOTUS Database	35616633
Cancer magister	FooDB	USDA
Cannabis sativa	CannabisDB	Not Available
Cantharellus cibarius	FooDB	DTU Food
Capparis spinosa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Capra aegagrus hircus	FooDB	USDA
Capsicum annuum	FooDB	All-Creatures
Capsicum annuum L.	FooDB	FooDB
Capsicum annuum var. annuum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Capsicum chinense	FooDB	FooDB
Capsicum pubescens	FooDB	FooDB
Carica papaya	KNApSAcK Database	22123792
Carica papaya L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Caridea	FooDB	DTU Food
Carissa macrocarpa	FooDB	FooDB
Carlina acaulis	LOTUS Database	35616633
Carthamus tinctorius	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Carum carvi	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Carya	FooDB	FooDB
Carya illinoinensis	FooDB	DTU Food
Cassia absu	Plant	KNApSAcK
Cassia fistula	LOTUS Database	35616633
Castanea	FooDB	DTU Food
Castanea crenata	FooDB	FooDB
Castanea mollissima	FooDB	FooDB
Castanea sativa	FooDB	FooDB
Catharanthus roseus	LOTUS Database	35616633
Cecropia pachystachya	LOTUS Database	35616633
Cedrus libani	LOTUS Database	35616633
Celastrus hypoleucus	LOTUS Database	35616633
Celastrus paniculata	LOTUS Database	35616633
Celosia argentea	LOTUS Database	35616633
Centaurea aspera	LOTUS Database	35616633
Ceratonia siliqua	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cervicornia cuspidifera	LOTUS Database	35616633
Cervidae	FooDB	USDA
Cervus canadensis	FooDB	FooDB
Chamaemalum nobile	-	KNApSAcK
Chamaemelum nobile	FooDB	FooDB
Chamerion angustifolium	FooDB	FooDB
Chenopodium album	FooDB	FooDB
Chenopodium quinoa	FooDB	USDA
Chionoecetes opilio	FooDB	USDA
Chlamydomonas reinhardtii	LOTUS Database	35616633
Chromolaena odorata	LOTUS Database	35616633
Chrysanthemum coronarium	FooDB	FooDB
Cicer arietinum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cichlidae	FooDB	USDA
Cichorium endivia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cichorium intybus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cinnamomum	FooDB	DTU Food
Cinnamomum aromaticum	FooDB	FooDB
Cinnamomum kotoense	LOTUS Database	35616633
Cinnamomum macrostemon	LOTUS Database	35616633
Cinnamomum parthenoxylon	LOTUS Database	35616633
Cinnamomum subavenium	Plant	KNApSAcK
Cinnamomum subavenium MIQ.	KNApSAcK Database	22123792
Cinnamomum tenuifolium	KNApSAcK Database	22123792
Cinnamomum verum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cirsium	FooDB	DTU Food
Cirsium arvense	LOTUS Database	35616633
Cirsium palustre	LOTUS Database	35616633
Cistanche salsa	LOTUS Database	35616633
Cistus creticus	KNApSAcK Database	22123792
Cistus incanus	LOTUS Database	35616633
Citrullus colocynthis	Plant	KNApSAcK
Citrullus lanatus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Citrus ×limon (L.) Burm. f. (pro sp.)	FooDB	DTU Food
Citrus aurantiifolia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Citrus latifolia	FooDB	FooDB
Citrus limon	FooDB	DTU Food
Citrus maxima	FooDB	FooDB
Citrus paradisi	FooDB	DTU Food
Citrus reticulata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Citrus sinensis	KNApSAcK Database	22123792
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cleistanthus collinus	LOTUS Database	35616633
Clematis vitalba	LOTUS Database	35616633
Cleome amblyocarpa	LOTUS Database	35616633
Clerodendrum colebrookianum	LOTUS Database	35616633
Clinopodium acinos	LOTUS Database	35616633
Clinopodium troodi	LOTUS Database	35616633
Clitoria ternata	KNApSAcK Database	22123792
Clitoria ternatea	LOTUS Database	35616633
Clupeinae	FooDB	DTU Food
Coccinella septempunctata	LOTUS Database	35616633
Cocos nucifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Coffea arabica L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Coffea canephora	FooDB	DTU Food
Coix lacryma-jobi	LOTUS Database	35616633
Colocasia esculenta	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Columba	FooDB	FooDB
Columbidae	FooDB	DTU Food
Consolida regalis	LOTUS Database	35616633
Corchorus aestuans	LOTUS Database	35616633
Corchorus olitorius	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cordia sinensis	LOTUS Database	35616633
Coregonus	FooDB	DTU Food
Coriandrum sativum	LOTUS Database	35616633
Coriandrum sativum L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Corylus	FooDB	DTU Food
Corylus avellana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Corylus chinensis	LOTUS Database	35616633
Crassostrea gigas	FooDB	USDA
Crassostrea virginica	FooDB	USDA
Crateva religiosa	FooDB	FooDB
Crinum amabile	LOTUS Database	35616633
Crocus sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Crotalaria pallida	LOTUS Database	35616633
Crotalaria retusa	LOTUS Database	35616633
Croton malambo	LOTUS Database	35616633
Croton penduliflorus	LOTUS Database	35616633
Cryptolepis buchananii	LOTUS Database	35616633
Cryptomeria japonica	LOTUS Database	35616633
Cryptostegia grandiflora	LOTUS Database	35616633
Cucumis melo	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucumis metuliferus	FooDB	FooDB
Cucumis sativus	LOTUS Database	35616633
Cucumis sativus L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucurbita	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucurbita foetidissima	LOTUS Database	35616633
Cucurbita maxima	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucurbita moschata	FooDB	FooDB
Cucurbita pepo	LOTUS Database	35616633
Cuminum cyminum	FooDB	FooDB
Curcuma longa	Plant	KNApSAcK
Curcuma mangga	KNApSAcK Database	22123792
Curcuma pierreana	LOTUS Database	35616633
Curcurbita pepo L.	-	KNApSAcK
Cuscuta campestris	LOTUS Database	35616633
Cyamopsis tetragonoloba	LOTUS Database	35616633
Cyathea lepifera	LOTUS Database	35616633
Cyclopteridae	FooDB	DTU Food
Cydonia oblonga	FooDB	DTU Food
Cymbopogon citratus	FooDB	FooDB
Cynara cardunculus	FooDB	FooDB
Cynara scolymus	FooDB	DTU Food
Cynara sibthorpiana	LOTUS Database	35616633
Cyperus conglomeratus	LOTUS Database	35616633
Cystoclonium purpureum	LOTUS Database	35616633
Dactylanthus taylorii	LOTUS Database	35616633
Dalbergia lanceolaria	LOTUS Database	35616633
Daphne odora	LOTUS Database	35616633
Daphnia magna	LOTUS Database	35616633
Datura stramonium	LOTUS Database	35616633
Daucus carota	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Daucus carota ssp. sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Delonix regia	LOTUS Database	35616633
Diascia cordata	KNApSAcK Database	22123792
Diascia integerrima	KNApSAcK Database	22123792
Diascia megathura	KNApSAcK Database	22123792
Diascia purpurea	KNApSAcK Database	22123792
Diascia vigilis	KNApSAcK Database	22123792
Dicliptera roxburghiana	LOTUS Database	35616633
Dictamnus albus	LOTUS Database	35616633
Dimocarpus longan	FooDB	FooDB
Dinemasporium strigosum	LOTUS Database	35616633
Dioscorea	FooDB	DTU Food
Dioscorea opposita	KNApSAcK Database	22123792
Dioscorea oppositifolia	LOTUS Database	35616633
Dioscorea pentaphylla	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Dioscorea polystachya	LOTUS Database	35616633
Diospyros	FooDB	DTU Food
Diospyros kaki	FooDB	FooDB
Diospyros virginiana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Diplotaxis harra	LOTUS Database	35616633
Dipteryx lacunifera	LOTUS Database	35616633
Dipteryx odorata	LOTUS Database	35616633
Dracaena mannii	LOTUS Database	35616633
Dromaius novaehollandiae	FooDB	FooDB
Drymaria cordata	KNApSAcK Database	22123792
Dryopteris aitoniana	LOTUS Database	35616633
Dryopteris filix-mas	LOTUS Database	35616633
Drypetes roxburghii	LOTUS Database	35616633
Duhaldea cappa	LOTUS Database	35616633
Durio zibethinus	FooDB	FooDB
Dysphania ambrosioides	FooDB	FooDB
Echinophora tournefortii	LOTUS Database	35616633
Echinops talassicus	LOTUS Database	35616633
Elaeagnus angustifolia	LOTUS Database	35616633
Elaeis	FooDB	DTU Food
Elaeis guineensis	LOTUS Database	35616633
Eleocharis dulcis	FooDB	FooDB
Elettaria cardamomum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Eleutherococcus trifoliatus	LOTUS Database	35616633
Emilia sonchifolia	LOTUS Database	35616633
Empetrum nigrum	FooDB	FooDB
Endarachne binghamiae	LOTUS Database	35616633
Engraulidae	FooDB	DTU Food
Epilobium parviflorum	LOTUS Database	35616633
Equilabium molle	LOTUS Database	35616633
Equisetum arvense	LOTUS Database	35616633
Equus caballus	FooDB	FooDB
Eragrostis tef	FooDB	USDA
Eremophila deserti	LOTUS Database	35616633
Erigeron caucasicus	LOTUS Database	35616633
Erigeron philadelphicus	LOTUS Database	35616633
Eriobotrya japonica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Eruca vesicaria subsp. Sativa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Erylus formosus	LOTUS Database	35616633
Erythrina suberosa	LOTUS Database	35616633
Esox lucius	FooDB	DTU Food
Eucheuma	FooDB	DTU Food
Eugenia javanica	FooDB	FooDB
Eugenia uniflora	FooDB	FooDB
Euphausia superba	LOTUS Database	35616633
Euphorbia glareosa	LOTUS Database	35616633
Euphorbia humifusa	LOTUS Database	35616633
Euphorbia milii	LOTUS Database	35616633
Euphorbia tithymaloides	LOTUS Database	35616633
Eurhynchium striatum	LOTUS Database	35616633
Eutrema japonicum	FooDB	FooDB
Fagopyrum esculentum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Fagopyrum tataricum	FooDB	FooDB
Fagus	FooDB	FooDB
Feijoa sellowiana	Plant	KNApSAcK
Fernandoa adenophylla	LOTUS Database	35616633
Ficus carica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Flammulina velutipes	FooDB	FooDB
Foeniculum vulgare	KNApSAcK Database	22123792
Forsythia suspensa	LOTUS Database	35616633
Fragaria x ananassa	FooDB	DTU Food
Fritillaria hupehensis	LOTUS Database	35616633
Fritillaria monantha	LOTUS Database	35616633
Frullania monocera	KNApSAcK Database	22123792
Frullania solanderiana	KNApSAcK Database	22123792
Fumaria vaillantii	LOTUS Database	35616633
Gadiformes	FooDB	DTU Food
Gadus	FooDB	DTU Food
Gallus gallus	FooDB	DTU Food
Ganoderma applanatum	LOTUS Database	35616633
Ganoderma australe	LOTUS Database	35616633
Garcinia dulcis	LOTUS Database	35616633
Garcinia mangostana	FooDB	FooDB
Gardenia resinifera	LOTUS Database	35616633
Gastrodia elata	LOTUS Database	35616633
Gastropoda	FooDB	DTU Food
Gaultheria borneensis	LOTUS Database	35616633
Gaylussacia baccata	FooDB	FooDB
Geodia japonica	LOTUS Database	35616633
Ginkgo biloba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Giraffa camelopardalis	LOTUS Database	35616633
Gladiolus italicus	LOTUS Database	35616633
Gleditsia triacanthos	LOTUS Database	35616633
Gloriosa superba	LOTUS Database	35616633
Glycine max	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Glycyrrhiza glabra	LOTUS Database	35616633
Gnetum edule	LOTUS Database	35616633
Gossypium	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Gossypium hirsutum	LOTUS Database	35616633
Gremmeniella abietina	LOTUS Database	35616633
Grifola frondosa	FooDB	FooDB
Gryllotalpa orientalis	LOTUS Database	35616633
Gustavia longifolia	LOTUS Database	35616633
Gymnodinium nagasakiense	LOTUS Database	35616633
Gymnopilus spectabilis	LOTUS Database	35616633
Gynura japonica	LOTUS Database	35616633
Halimodendron halodendron	LOTUS Database	35616633
Hamamelis virginiana	LOTUS Database	35616633
Haplophyllum acutifolium	KNApSAcK Database	22123792
Hedysarum alpinum	FooDB	FooDB
Helianthus annuus L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Helianthus tuberosus	FooDB	DTU Food
Hemidesmus indicus	LOTUS Database	35616633
Henriettea fascicularis	Plant	KNApSAcK
Henriettella fascicularis	KNApSAcK Database	22123792
Hibiscus cannabinus	LOTUS Database	35616633
Hibiscus sabbariffa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Hibiscus sabdariffa	LOTUS Database	35616633
Hibiscus syriacus	LOTUS Database	35616633
Hippoglossus	FooDB	USDA
Hippoglossus hippoglossus	FooDB	DTU Food
Hippomane mancinella	LOTUS Database	35616633
Hippophae rhamnoides	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Hirschfeldia incana	LOTUS Database	35616633
Holotrichia diomphalia	LOTUS Database	35616633
Hoplostethus atlanticus	FooDB	USDA
Hordeum vulgare	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Houttuynia cordata	Plant	KNApSAcK
Houttuynia cordata Thunb.	KNApSAcK Database	22123792
Hoya bella	LOTUS Database	35616633
Humulus lupulus	LOTUS Database	35616633
Hydrangea chinensis	KNApSAcK Database	22123792
Hyoscyamus muticus	LOTUS Database	35616633
Hypera meles	LOTUS Database	35616633
Hypericum perforatum	LOTUS Database	35616633
Hyssopus officinalis L.	FooDB	FooDB
Ictalurus punctatus	FooDB	USDA
Illicium verum	FooDB	FooDB
Inula grandis	LOTUS Database	35616633
Inula helenium	LOTUS Database	35616633
Ipomoea aquatica	FooDB	FooDB
Ipomoea batatas	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Isatis tinctoria	KNApSAcK Database	22123792
Isodon nervosus	LOTUS Database	35616633
Isodon serra	LOTUS Database	35616633
Ixeris japonica	LOTUS Database	35616633
Jacobaea arnautorum	LOTUS Database	35616633
Jasminum auriculatum	KNApSAcK Database	22123792
Jasminum azoricum L.	LOTUS Database	35616633
Jatropha curcas	LOTUS Database	35616633
Jatropha curcus	KNApSAcK Database	22123792
Jatropha gossypifolia	LOTUS Database	35616633
Jodina rhombifolia	LOTUS Database	35616633
Juglans	FooDB	DTU Food
Juglans ailanthifolia	FooDB	FooDB
Juglans cinerea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Juglans nigra L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Juglans regia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Juniperus brevifolia	LOTUS Database	35616633
Justicia heterocarpa	LOTUS Database	35616633
Justicia heterocarpa T.ANDERS	KNApSAcK Database	22123792
Katsuwonus pelamis	FooDB	USDA
Kigelia africana	LOTUS Database	35616633
Lablab purpureus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lactarius deliciosus	LOTUS Database	35616633
Lactarius deterrimus	LOTUS Database	35616633
Lactuca saligna L.	LOTUS Database	35616633
Lactuca sativa	FooDB	15986496
Lactuca serriola	LOTUS Database	35616633
Lagenaria breviflora	LOTUS Database	35616633
Lagenaria siceraria	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lagerstroemia speciosa	LOTUS Database	35616633
Lagerstroemia thomsonil	KNApSAcK Database	22123792
Lagopus muta	FooDB	DTU Food
Laminaria japonica	KNApSAcK Database	22123792
Lantana camara	KNApSAcK Database	22123792
Lantana strigocamara	LOTUS Database	35616633
Lantana ukambensis	LOTUS Database	35616633
Larix gmelini	LOTUS Database	35616633
Lathraea squamaria	LOTUS Database	35616633
Lathyrus sativus	FooDB	FooDB
Laurencia aldingensis	-	KNApSAcK
Laurencia dendroidea	LOTUS Database	35616633
Laurus nobilis L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lavandula canariensis	LOTUS Database	35616633
Lens culinaris	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lentinus edodes	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lepidaploa myriocephala	LOTUS Database	35616633
Lepidium meyenii	LOTUS Database	35616633
Lepidium sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lepidozia fauriana	LOTUS Database	35616633
Lepomis gibbosus	FooDB	USDA
Leporidae	FooDB	DTU Food
Leptolyngbya tenuis	LOTUS Database	35616633
Lepus timidus	FooDB	DTU Food
Lessertia frutescens	LOTUS Database	35616633
Leucosceptrum canum	LOTUS Database	35616633
Levisticum officinale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ligularia nanchuanica	LOTUS Database	35616633
Ligusticum chuanxiong	LOTUS Database	35616633
Ligustrum lucidum	LOTUS Database	35616633
Lilium longiflorum	LOTUS Database	35616633
Limanda limanda	FooDB	DTU Food
Lindera neesiana	LOTUS Database	35616633
Linum usitatissimum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lippia origanoides	LOTUS Database	35616633
Litchi chinensis	FooDB	DTU Food
Litsea acutivena	LOTUS Database	35616633
Lobelia chinensis	LOTUS Database	35616633
Lobophytum crassum	LOTUS Database	35616633
Lota lota	FooDB	DTU Food
Lotus corniculatus	LOTUS Database	35616633
Lotus uliginosus	LOTUS Database	35616633
Loxocalyx urticifolius	LOTUS Database	35616633
Luffa aegyptiaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lumbricus terrestris	LOTUS Database	35616633
Lupinus	FooDB	FooDB
Lupinus albus	KNApSAcK Database	22123792
Lupinus angustifolius	LOTUS Database	35616633
Lysimachia fordiana	LOTUS Database	35616633
Lysimachia heterogenea	LOTUS Database	35616633
Lysimachia patungensis	LOTUS Database	35616633
Maackia amurensis	LOTUS Database	35616633
Macadamia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Macadamia integrifolia	LOTUS Database	35616633
Macadamia tetraphylla	FooDB	FooDB
Maclura pomifera	LOTUS Database	35616633
Malpighia emarginata	FooDB	FooDB
Malus	FooDB	DTU Food
Malus domestica	LOTUS Database	35616633
Malus pumila	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Malva sylvestris	LOTUS Database	35616633
Malvaviscus arboreus	LOTUS Database	35616633
Mammea americana	FooDB	FooDB
Mandragora autumnalis	KNApSAcK Database	22123792
Mandragora officinarum	LOTUS Database	35616633
Mangifera indica	KNApSAcK Database	22123792
Manihot esculenta	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Manilkara bidentata	LOTUS Database	35616633
Manilkara zapota	FooDB	FooDB
Maranta arundinacea	FooDB	USDA
Marrubium parviflorum	LOTUS Database	35616633
Matricaria chamomilla	KNApSAcK Database	22123792
Matricaria recutita	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Matteuccia struthiopteris	FooDB	FooDB
Medicago sativa	FooDB	DTU Food
Melanitta fusca	FooDB	FooDB
Melanogrammus aeglefinus	FooDB	DTU Food
Meleagris gallopavo	FooDB	DTU Food
Melissa officinalis L.	FooDB	FooDB
Mentha	FooDB	FooDB
Mentha aquatica	FooDB	FooDB
Mentha arvensis	FooDB	FooDB
Mentha spicata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Mentha x piperita	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Merlangius merlangus	FooDB	DTU Food
Mespilus germanica	FooDB	FooDB
Metroxylon sagu	FooDB	FooDB
Michelia alba	LOTUS Database	35616633
Micromesistius poutassou	FooDB	DTU Food
Microstomus kitt	FooDB	DTU Food
Mikania cordifolia	LOTUS Database	35616633
Mitracarpus hirtus	LOTUS Database	35616633
Molva molva	FooDB	DTU Food
Momordica charantia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Monteverdia ilicifolia	LOTUS Database	35616633
Morchellaceae	FooDB	FooDB
Morella rubra	FooDB	FooDB
Morina persica	LOTUS Database	35616633
Moringa oleifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Mortierella hygrophila	LOTUS Database	35616633
Morus	FooDB	FooDB
Morus nigra	FooDB	FooDB
Mosla cavaleriei	LOTUS Database	35616633
Mucuna puriens	Plant	KNApSAcK
Murraya paniculata	KNApSAcK Database	22123792
Musa acuminata	FooDB	FooDB
Musa paradisiaca	LOTUS Database	35616633
Musa x paradisiaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Mycale laevis	LOTUS Database	35616633
Mycoplasmopsis bovis	LOTUS Database	35616633
Myrica	FooDB	FooDB
Myrica gale	LOTUS Database	35616633
Myristica fragrans	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Myrmekioderma rea	LOTUS Database	35616633
Mytilidae	FooDB	DTU Food
Nanodea muscosa	LOTUS Database	35616633
Narthecium ossifragum	LOTUS Database	35616633
Nelumbo	FooDB	FooDB
Nelumbo lutea	LOTUS Database	35616633
Nelumbo nucifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Nepeta cataria	LOTUS Database	35616633
Nephelium lappaceum	FooDB	FooDB
Nephropidae	FooDB	DTU Food
Nephrops norvegicus	FooDB	DTU Food
Nervilia aragoana	LOTUS Database	35616633
Nicotiana tabacum	LOTUS Database	35616633
Nigella sativa	LOTUS Database	35616633
Numida meleagris	FooDB	FooDB
Nuphar lutea	FooDB	USDA
Nymphaea alba	KNApSAcK Database	22123792
Ocimum basilicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Octopus vulgaris	FooDB	DTU Food
Odocoileus	FooDB	FooDB
Oenothera biennis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Olea europaea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Oleandra wallichii	LOTUS Database	35616633
Oncorhynchus gorbuscha	FooDB	USDA
Oncorhynchus keta	FooDB	USDA
Oncorhynchus kisutch	FooDB	USDA
Oncorhynchus mykiss	FooDB	DTU Food
Oncorhynchus nerka	FooDB	USDA
Oncorhynchus tshawytscha	FooDB	USDA
Ononis natrix	LOTUS Database	35616633
Opuntia	FooDB	DTU Food
Opuntia cochenillifera	FooDB	FooDB
Opuntia macrorhiza	FooDB	FooDB
Origanum majorana	FooDB	FooDB
Origanum onites	FooDB	FooDB
Origanum vulgare	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Origanum X majoricum	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Oryza rufipogon	FooDB	FooDB
Oryza sativa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Oryza sativa cv. Heugjinjubyeo	KNApSAcK Database	22123792
Osmeridae	FooDB	USDA
Osmunda japonica	LOTUS Database	35616633
Ovis aries	FooDB	DTU Food
Pachyrhizus erosus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Paeonia lactiflora	LOTUS Database	35616633
Palinuridae	FooDB	USDA
Pallavicinia subciliata	LOTUS Database	35616633
Panax ginseng	KNApSAcK Database	22123792
Panax pseudoginseng	LOTUS Database	35616633
Panax quinquefolius	LOTUS Database	35616633
Pandanus conoideus	LOTUS Database	35616633
Pangium edule	FooDB	FooDB
Panicum miliaceum	FooDB	DTU Food
Papaver	FooDB	DTU Food
Papaver bracteatum	LOTUS Database	35616633
Parinari montana	LOTUS Database	35616633
Paris polyphylla	LOTUS Database	35616633
Passiflora edulis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Passiflora incarnata	LOTUS Database	35616633
Pastinaca sativa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Patrinia villosa	LOTUS Database	35616633
Pectinidae	FooDB	USDA
Pediomelum esculentum	FooDB	FooDB
Pelargonium endlicherianum	LOTUS Database	35616633
Pentanisia prunelloides	LOTUS Database	35616633
Perciformes	FooDB	DTU Food
Perideridia oregana	FooDB	FooDB
Periploca sepium	LOTUS Database	35616633
Persea americana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Petasites albus	KNApSAcK Database	22123792
Petasites japonicus	FooDB	FooDB
Petiveria alliacea	LOTUS Database	35616633
Petroselinum crispum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Phagnalon sordidum	KNApSAcK Database	22123792
Phaseolus coccineus	FooDB	FooDB
Phaseolus lunatus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Phaseolus vulgaris	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Phasianidae	FooDB	USDA
Phasianus colchicus	FooDB	FooDB
Phellinus pomaceus	LOTUS Database	35616633
Phoenix dactylifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Photinia melanocarpa	FooDB	FooDB
Phyllostachys edulis	FooDB	DTU Food
Physalis	FooDB	DTU Food
Physalis philadelphica var. immaculata	FooDB	FooDB
Phytelephas aequatorialis	LOTUS Database	35616633
Phytolacca americana	FooDB	FooDB
Pimenta dioica	FooDB	FooDB
Pimpinella anisum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pinellia pedatisecta	KNApSAcK Database	22123792
Pinus	FooDB	DTU Food
Pinus edulis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pinus pinaster	LOTUS Database	35616633
Pinus pumila	LOTUS Database	35616633
Pinus radiata	LOTUS Database	35616633
Pinus resinosa	LOTUS Database	35616633
Pinus sibirica	KNApSAcK Database	22123792
Piper auritum	LOTUS Database	35616633
Piper nigrum	LOTUS Database	35616633
Piper nigrum L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Piper obliquum	KNApSAcK Database	22123792
Piper ribesioides	LOTUS Database	35616633
Pistacia vera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pisum sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pithecellobium dulce	LOTUS Database	35616633
Plagiochila elegans	LOTUS Database	35616633
Plagiochila porelloides	LOTUS Database	35616633
Plantago ovata	LOTUS Database	35616633
Platycladus orientalis	LOTUS Database	35616633
Platycodon grandiflorus	LOTUS Database	35616633
Pleopeltis polypodioides	LOTUS Database	35616633
Pleuronectidae	FooDB	DTU Food
Pleuronectiformes	FooDB	DTU Food
Pleurotus ostreatus	FooDB	DTU Food
Pollachius	FooDB	DTU Food
Polygala senega	LOTUS Database	35616633
Polygonum alpinum	FooDB	FooDB
Polygonum maritimum	LOTUS Database	35616633
Polygonum minus	KNApSAcK Database	22123792
Pongamia pinnata	LOTUS Database	35616633
Populus tremula	LOTUS Database	35616633
Populus tremuloides	LOTUS Database	35616633
Portulaca oleracea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pouteria sapota	FooDB	FooDB
Proiphys amboinensis	LOTUS Database	35616633
Prunus africana	LOTUS Database	35616633
Prunus armeniaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus avium	KNApSAcK Database	22123792
Prunus avium L.	FooDB	DTU Food
Prunus cerasus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus domestica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus dulcis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus laurocerasus	LOTUS Database	35616633
Prunus persica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus persica var. nucipersica	FooDB	DTU Food
Prunus persica var. persica	FooDB	FooDB
Prunus tomentosa	FooDB	FooDB
Prunus virginiana	FooDB	FooDB
Pseudo-nitzschia multistriata	LOTUS Database	35616633
Pseudostellaria heterophylla	LOTUS Database	35616633
Psidium cattleianum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Psidium guajava	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Psophocarpus tetragonolobus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pterodon emarginatus	LOTUS Database	35616633
Punica granatum	KNApSAcK Database	22123792
Pyrus communis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pyrus pyrifolia	FooDB	FooDB
Quercus	FooDB	FooDB
Rabdosia amethystoides	LOTUS Database	35616633
Ranidae	FooDB	DTU Food
Ranunculus silerifolius	LOTUS Database	35616633
Raphanus sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Raphanus sativus var. longipinnatus	FooDB	DTU Food
Raphanus sativus var. sativus	FooDB	FooDB
Rauvolfia vomitoria	LOTUS Database	35616633
Reinhardtius hippoglossoides	FooDB	DTU Food
Rhaponticum carthamoides	KNApSAcK Database	22123792
Rheum rhabarbarum	FooDB	DTU Food
Rhodiola rosea	Plant	KNApSAcK
Rhodiola rosea L.	KNApSAcK Database	22123792
Rhododendron sichotense	LOTUS Database	35616633
Rhodotorula glutinis	LOTUS Database	35616633
Ribes aureum	FooDB	FooDB
Ribes glandulosum	FooDB	FooDB
Ribes nigrum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ribes rubrum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ribes uva-crispa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Rosa	FooDB	DTU Food
Rosa platyacantha	LOTUS Database	35616633
Rubus arcticus	FooDB	FooDB
Rubus chamaemorus	FooDB	FooDB
Rubus idaeus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Rubus occidentalis	FooDB	FooDB
Rubus spectabilis	FooDB	FooDB
Rumex	FooDB	FooDB
Rumex acetosa	FooDB	DTU Food
Rumex articus	FooDB	FooDB
Saccharina japonica	FooDB	DTU Food
Sagittaria latifolia	FooDB	FooDB
Salix pulchra	FooDB	FooDB
Salmo salar	FooDB	USDA
Salmonella enterica	LOTUS Database	35616633
Salmonidae	FooDB	DTU Food
Salpa thompsoni	LOTUS Database	35616633
Salsola collina	LOTUS Database	35616633
Salvelinus	FooDB	DTU Food
Salvelinus namaycush	FooDB	DTU Food
Salvia elegans	FooDB	FooDB
Salvia fruticosa	LOTUS Database	35616633
Salvia hispanica	FooDB	FooDB
Salvia officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Salvia rosmarinus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Salvia syriaca	LOTUS Database	35616633
Sambucus nigra	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sambucus nigra L.	FooDB	DTU Food
Sander lucioperca	FooDB	DTU Food
Santalum album	KNApSAcK Database	22123792
Satureja hortensis L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Satureja montana	FooDB	FooDB
Sauromatum giganteum	LOTUS Database	35616633
Saussurea involucrata	LOTUS Database	35616633
Saussurea medusa	LOTUS Database	35616633
Saxifraga stolonifera	LOTUS Database	35616633
Saxifraga stolonifera Meerb.	KNApSAcK Database	22123792
Scaevola spinescens	LOTUS Database	35616633
Scleroderma polyrhizum	LOTUS Database	35616633
Scolochloa festucacea	LOTUS Database	35616633
Scomber japonicus	LOTUS Database	35616633
Scombridae	FooDB	DTU Food
Scophthalmus maximus	FooDB	DTU Food
Scorzonera hispanica	FooDB	DTU Food
Scrophularia nodosa	LOTUS Database	35616633
Scrophularia rubricaulis	LOTUS Database	35616633
Scutellaria baicalensis	LOTUS Database	35616633
Scutellaria lateriflora	LOTUS Database	35616633
Scytosiphon lomentaria	LOTUS Database	35616633
Sebastes alutus	FooDB	DTU Food
Sebastes viviparus	FooDB	DTU Food
Sebastiana sebiferum	-	KNApSAcK
Secale cereale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sechium edule	FooDB	DTU Food
Senecio vulgaris	KNApSAcK Database	22123792
Senna alata	Plant	KNApSAcK
Senna alexandrina	LOTUS Database	35616633
Senna didymobotrya	LOTUS Database	35616633
Senna villosa	LOTUS Database	35616633
Sepiidae	FooDB	USDA
Serenoa repens	LOTUS Database	35616633
Sesamum indicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sesbania bispinosa	FooDB	FooDB
Sideritis romana	LOTUS Database	35616633
Sideritis taurica	LOTUS Database	35616633
Siluriformes	FooDB	DTU Food
Silybum marianum	KNApSAcK Database	22123792
Simicratea welwitschii	LOTUS Database	35616633
Sinapis alba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sisymbrium	FooDB	FooDB
Smilax perfoliata	LOTUS Database	35616633
Solanum angustifolium	LOTUS Database	35616633
Solanum argentinum	LOTUS Database	35616633
Solanum chacoense	LOTUS Database	35616633
Solanum lycopersicum	FooDB	DTU Food
Solanum lycopersicum var. cerasiforme	FooDB	FooDB
Solanum lycopersicum var. lycopersicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Solanum melongena	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Solanum quitoense	FooDB	FooDB
Solanum tuberosum	KNApSAcK Database	22123792
Sorbus aucuparia	FooDB	FooDB
Sorbus tianschanica	LOTUS Database	35616633
Sorghum bicolor	FooDB	USDA
Spathiphyllum cannifolium	LOTUS Database	35616633
Spermacoce pusilla	LOTUS Database	35616633
Spinacia oleracea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Spondias mombin	LOTUS Database	35616633
Squalus acanthias	FooDB	DTU Food
Stangeria eriopus	LOTUS Database	35616633
Stellaria dichotoma	LOTUS Database	35616633
Stenodus leucichthys	FooDB	USDA
Sterculia tragacantha	LOTUS Database	35616633
Stoebe plumosa	LOTUS Database	35616633
Streptomyces niveiscabiei	LOTUS Database	35616633
Strombidae	FooDB	USDA
Struthio camelus	FooDB	FooDB
Strychnos spinosa	LOTUS Database	35616633
Stuckenia pectinata	LOTUS Database	35616633
Suaeda aegyptiaca	LOTUS Database	35616633
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	DTU Food
Syzygium aromaticum	FooDB	FooDB
Syzygium cumini	FooDB	FooDB
Syzygium jambos	FooDB	FooDB
Talaromyces flavus	LOTUS Database	35616633
Tamarindus indica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Tanacetum macrophyllum	KNApSAcK Database	22123792
Taraxacum officinale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Terminalia chebula	LOTUS Database	35616633
Terminalia pallida	LOTUS Database	35616633
Tetragonia tetragonioides	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Teucrium montanum	LOTUS Database	35616633
Thalictrum simplex	LOTUS Database	35616633
Thelesperma	FooDB	FooDB
Theobroma cacao	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Thuidium pristocalyx	LOTUS Database	35616633
Thuja occidentalis	LOTUS Database	35616633
Thunnus	FooDB	DTU Food
Thunnus albacares	FooDB	USDA
Thymus capitatus	KNApSAcK Database	22123792
Thymus pulegioides	FooDB	FooDB
Thymus vulgaris	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Tilesia baccata	LOTUS Database	35616633
Tilia cordata	Plant	KNApSAcK
Tilia cordata Mill.	KNApSAcK Database	22123792
Tilia L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Tilia tomentosa	LOTUS Database	35616633
Tipuana tipu	KNApSAcK Database	22123792
Toona sinensis	LOTUS Database	35616633
Tradescantia virginiana	LOTUS Database	35616633
Tragopogon porrifolius	FooDB	FooDB
Treculia africana	LOTUS Database	35616633
Trichodesma zeylanicum	LOTUS Database	35616633
Trichosanthes cucumeroides	LOTUS Database	35616633
Trichosanthes kirilowii	LOTUS Database	35616633
Trichosanthes nervifolia	LOTUS Database	35616633
Trichosanthes tricuspidata	LOTUS Database	35616633
Trifolium pratense	Plant	KNApSAcK
Trigonella foenum-graecum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Tripneustes ventricosus	LOTUS Database	35616633
Tripterygium wilfordii	LOTUS Database	35616633
Trisopterus esmarkii	FooDB	DTU Food
Triticum	FooDB	DTU Food
Triticum aestivum	KNApSAcK Database	22123792
Triticum durum	FooDB	DTU Food
Triticum spelta	FooDB	USDA
Triticum turanicum	FooDB	USDA
Triticum turgidum	LOTUS Database	35616633
Tritrichomonas suis	LOTUS Database	35616633
Turnera diffusa	Plant	KNApSAcK
Turnera ulmifolia	LOTUS Database	35616633
Typha angustifolia	FooDB	FooDB
Ulva lactuca	LOTUS Database	35616633
Vaccinium	FooDB	DTU Food
Vaccinium angustifolium	FooDB	FooDB
Vaccinium angustifolium X Vaccinium corymbosum	FooDB	FooDB
Vaccinium arboreum	FooDB	FooDB
Vaccinium corymbosum	FooDB	FooDB
Vaccinium deliciosum	FooDB	FooDB
Vaccinium elliottii	FooDB	FooDB
Vaccinium macrocarpon	FooDB	USDA
Vaccinium myrtilloides	FooDB	FooDB
Vaccinium myrtillus	FooDB	DTU Food
Vaccinium ovalifolium	FooDB	FooDB
Vaccinium ovatum	FooDB	FooDB
Vaccinium oxycoccos	FooDB	FooDB
Vaccinium parvifolium	FooDB	FooDB
Vaccinium reticulatum	FooDB	FooDB
Vaccinium stamineum	FooDB	FooDB
Vaccinium uliginosum	FooDB	FooDB
Vaccinium vitis-idaea	FooDB	DTU Food
Vachellia constricta	LOTUS Database	35616633
Vachellia nilotica	LOTUS Database	35616633
Valeriana officinalis	LOTUS Database	35616633
Valerianella locusta	FooDB	FooDB
Vanilla	FooDB	USDA
Ventilago denticulata	LOTUS Database	35616633
Verbena officinalis	FooDB	FooDB
Viburnum edule	FooDB	FooDB
Viburnum opulus	LOTUS Database	35616633
Vicia faba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna aconitifolia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna angularis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna mungo	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna radiata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna subterranea	LOTUS Database	35616633
Vigna umbellata	FooDB	FooDB
Vigna unguiculata	FooDB	FooDB
Vigna unguiculata ssp. cylindrica	FooDB	USDA
Vigna unguiculata ssp. unguiculata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna unguiculata var. sesquipedalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Virola surinamensis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vitellaria paradoxa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vitis	FooDB	DTU Food
Vitis aestivalis	FooDB	FooDB
Vitis labrusca	FooDB	FooDB
Vitis rotundifolia	FooDB	FooDB
Vitis vinifera	LOTUS Database	35616633
Vitis vinifera L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Xanthosoma sagittifolium	FooDB	FooDB
Xestospongia muta	LOTUS Database	35616633
Zanthoxylum bungeanum	LOTUS Database	35616633
Zanthoxylum gilletii	LOTUS Database	35616633
Zea mays	LOTUS Database	35616633
Zea mays L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Zingiber officinale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Zizania	FooDB	USDA
Zizania aquatica	FooDB	FooDB
Ziziphus zizyphus	FooDB	FooDB

Species Where Detected

Species Name	Source	Reference
Homo sapiens (Skin)	KNApSAcK Database	22123792
Sargassum crassifolium J.Asgardh	KNApSAcK Database	22123792

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-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

long-chain fatty acid (CHEBI:15756 )
straight-chain saturated fatty acid (CHEBI:15756 )
Straight chain fatty acids (C00249 )
Saturated fatty acids (C00249 )
Straight chain fatty acids (LMFA01010001 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	61.8 °C	Not Available
Boiling Point	204.00 to 220.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Water Solubility	4.0e-05 mg/mL	Not Available
LogP	7.17	Sangster, J. (1993). LOGKOW- a Databank of Evaluated Octanol-Water Partition Coefficients. Sangster Research Laboratories, Montreal.

Predicted Properties

Property	Value	Source
Water Solubility	0.00041 g/L	ALOGPS
logP	7.23	ALOGPS
logP	6.26	ChemAxon
logS	-5.8	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	14	ChemAxon
Refractivity	77.08 m³·mol⁻¹	ChemAxon
Polarizability	34.36 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0000220

DrugBank ID

DB03796

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

15756

Good Scents ID

rw1009101

References

General References

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Showing NP-Card for Palmitic acid (NP0000371)

MOL for NP0000371 (Palmitic acid)

3D MOL for NP0000371 (Palmitic acid)

3D SDF for NP0000371 (Palmitic acid)

3D-SDF for NP0000371 (Palmitic acid)

PDB for NP0000371 (Palmitic acid)

3D PDB for NP0000371 (Palmitic acid)

SMILES for NP0000371 (Palmitic acid)

INCHI for NP0000371 (Palmitic acid)

Structure for NP0000371 (Palmitic acid)

3D Structure for NP0000371 (Palmitic acid)