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Showing NP-Card for TG(16:0/16:0/16:0) (NP0001363)

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Record Information
Version1.0
Created at2006-12-06 15:50:25 UTC
Updated at2021-08-19 23:59:04 UTC
NP-MRD IDNP0001363
Secondary Accession NumbersNone
Natural Product Identification
Common NameTG(16:0/16:0/16:0)
DescriptionTG(16:0/16:0/16:0) Or Tripalmitin is a monoacid triglyceride. Triglycerides (TGs) are also known as triacylglycerols or triacylglycerides. TGs are fatty acid triesters of glycerol and may be divided into three general types with respect to their acyl substituents. They are simple or monoacid if they contain only one type of fatty acid, diacid if they contain two types of fatty acids and triacid if three different acyl groups. Chain lengths of the fatty acids in naturally occurring triglycerides can be of varying lengths and saturations but 16, 18 and 20 carbons are the most common. TGs are the main constituent of vegetable oil and animal fats. TGs are major components of very low density lipoprotein (VLDL) and chylomicrons, play an important role in metabolism as energy sources and transporters of dietary fat. They contain more than twice the energy (9 kcal/g) of carbohydrates and proteins. In the intestine, triglycerides are split into glycerol and fatty acids (this process is called lipolysis) (with the help of lipases and bile secretions), which can then move into blood vessels. The triglycerides are rebuilt in the blood from their fragments and become constituents of lipoproteins, which deliver the fatty acids to and from fat cells among other functions. Various tissues can release the free fatty acids and take them up as a source of energy. Fat cells can synthesize and store triglycerides. When the body requires fatty acids as an energy source, the hormone glucagon signals the breakdown of the triglycerides by hormone-sensitive lipase to release free fatty acids. As the brain cannot utilize fatty acids as an energy source, the glycerol component of triglycerides can be converted into glucose for brain fuel when it is broken down. TAGs can serve as fatty acid stores in all cells, but primarily in adipocytes of adipose tissue. The major building block for the synthesis of triacylglycerides, in non-adipose tissue, is glycerol. Adipocytes lack glycerol kinase and so must use another route to TAG synthesis. Specifically, dihydroxyacetone phosphate (DHAP), which is produced during glycolysis, is the precursor for TAG synthesis in adipose tissue. DHAP can also serve as a TAG precursor in non-adipose tissues, but does so to a much lesser extent than glycerol. The use of DHAP for the TAG backbone depends on whether the synthesis of the TAGs occurs in the mitochondria and ER or the ER and the peroxisomes. The ER/mitochondria pathway requires the action of glycerol-3-phosphate dehydrogenase to convert DHAP to glycerol-3-phosphate. Glycerol-3-phosphate acyltransferase then esterifies a fatty acid to glycerol-3-phosphate thereby generating lysophosphatidic acid. The ER/peroxisome reaction pathway uses the peroxisomal enzyme DHAP acyltransferase to acylate DHAP to acyl-DHAP which is then reduced by acyl-DHAP reductase. The fatty acids that are incorporated into TAGs are activated to acyl-CoAs through the action of acyl-CoA synthetases. Two molecules of acyl-CoA are esterified to glycerol-3-phosphate to yield 1,2-diacylglycerol phosphate (also known as phosphatidic acid). The phosphate is then removed by phosphatidic acid phosphatase (PAP1), to generate 1,2-diacylglycerol. This diacylglycerol serves as the substrate for addition of the third fatty acid to make TAG. Intestinal monoacylglycerols, derived from dietary fats, can also serve as substrates for the synthesis of 1,2-diacylglycerols.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0001363 (TG(16:0/16:0/16:0))


  Mrv1652303302019432D          

 58 57  0  0  0  0            999 V2000
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M  END
Download

3D MOL for NP0001363 (TG(16:0/16:0/16:0))

HMDB0005356
     RDKit          3D
TG(16:0/16:0/16:0)
155154  0  0  0  0  0  0  0  0999 V2000
    1.1141    3.1547    2.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1771    3.3369    3.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2433    3.4039    4.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2670    2.4051    5.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9315    1.1221    5.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for NP0001363 (TG(16:0/16:0/16:0))


  Mrv1652303302019432D          

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M  END
> <DATABASE_ID>
NP0001363

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3

> <INCHI_KEY>
PVNIQBQSYATKKL-UHFFFAOYSA-N

> <FORMULA>
C51H98O6

> <MOLECULAR_WEIGHT>
807.3202

> <EXACT_MASS>
806.736340868

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
155

> <JCHEM_AVERAGE_POLARIZABILITY>
109.38888486004879

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate

> <ALOGPS_LOGP>
10.59

> <JCHEM_LOGP>
18.924147684333334

> <ALOGPS_LOGS>
-7.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565867985366662

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
241.29030000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
50

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.16e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tripalmitin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0001363 (TG(16:0/16:0/16:0))

HMDB0005356
     RDKit          3D
TG(16:0/16:0/16:0)
155154  0  0  0  0  0  0  0  0999 V2000
    1.1141    3.1547    2.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
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 54148  1  0
 55149  1  0
 55150  1  0
 56151  1  0
 56152  1  0
 57153  1  0
 57154  1  0
 57155  1  0
M  END
Download

PDB for NP0001363 (TG(16:0/16:0/16:0))

HEADER    PROTEIN                                 30-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-MAR-20         0                                  
HETATM    1  C   UNK     0      13.356   0.518   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.562  -0.518   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.768   0.518   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      13.356   2.590   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       7.973  -0.518   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      10.162  -2.590   0.000  0.00  0.00           O+0
HETATM    7  H   UNK     0      12.971  -2.615   0.000  0.00  0.00           H+0
HETATM    8  C   UNK     0      12.022   3.360   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      12.022   4.800   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      10.689   2.589   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.356   3.360   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.023   2.589   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.690   3.360   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.357   2.589   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.024   3.360   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.691   2.589   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.358   3.360   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.025   2.589   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.308   3.360   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.641   2.589   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.974   3.360   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.307   2.589   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.640   3.360   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -7.973   2.589   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.828  -3.360   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       8.828  -4.800   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       7.495  -2.589   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.162  -3.360   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.829  -2.589   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.496  -3.360   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.163  -2.589   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.830  -3.360   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.503  -2.589   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -1.836  -3.360   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -3.169  -2.589   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.502  -3.360   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.835  -2.589   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -7.168  -3.360   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -8.501  -2.589   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -9.834  -3.360   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0     -11.168  -2.589   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.640   0.252   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       6.640   1.692   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       5.306  -0.519   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       3.973   0.252   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       2.640  -0.519   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       1.307   0.252   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -0.025  -0.519   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -1.359   0.252   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -2.692  -0.519   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -4.025   0.252   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -5.358  -0.519   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -6.691   0.252   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -8.024  -0.519   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -9.357   0.252   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0     -10.690  -0.519   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0     -12.023   0.252   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0     -13.356  -0.519   0.000  0.00  0.00           C+0
CONECT    1    2    4                                                       
CONECT    2    1    3    6    7                                             
CONECT    3    2    5                                                       
CONECT    4    1    8                                                       
CONECT    5    3   42                                                       
CONECT    6    2   25                                                       
CONECT    7    2                                                            
CONECT    8    4    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   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                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25    6   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40                                                            
CONECT   42    5   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57                                                            
MASTER        0    0    0    0    0    0    0    0   58    0  114    0
END
Download

3D PDB for NP0001363 (TG(16:0/16:0/16:0))

COMPND    HMDB0005356
HETATM    1  C1  UNL     1       1.114   3.155   2.725  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.177   3.337   3.927  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.259   3.224   3.379  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.243   3.404   4.490  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.267   2.405   5.550  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.931   1.122   5.395  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.737   0.220   4.282  1.00  0.00           C  
HETATM    8  C8  UNL     1      -3.346   0.559   2.962  1.00  0.00           C  
HETATM    9  C9  UNL     1      -3.067  -0.438   1.877  1.00  0.00           C  
HETATM   10  C10 UNL     1      -1.607  -0.675   1.681  1.00  0.00           C  
HETATM   11  C11 UNL     1      -1.396  -1.636   0.504  1.00  0.00           C  
HETATM   12  C12 UNL     1       0.056  -1.979   0.335  1.00  0.00           C  
HETATM   13  C13 UNL     1       0.969  -0.823   0.126  1.00  0.00           C  
HETATM   14  C14 UNL     1       2.417  -1.279  -0.023  1.00  0.00           C  
HETATM   15  C15 UNL     1       2.561  -2.143  -1.256  1.00  0.00           C  
HETATM   16  C16 UNL     1       2.262  -1.390  -2.484  1.00  0.00           C  
HETATM   17  O1  UNL     1       3.273  -1.068  -3.198  1.00  0.00           O  
HETATM   18  O2  UNL     1       1.060  -0.986  -2.960  1.00  0.00           O  
HETATM   19  C17 UNL     1       0.782  -0.249  -4.098  1.00  0.00           C  
HETATM   20  C18 UNL     1       1.277   1.154  -4.153  1.00  0.00           C  
HETATM   21  C19 UNL     1       0.564   2.017  -3.091  1.00  0.00           C  
HETATM   22  O3  UNL     1      -0.808   1.782  -3.153  1.00  0.00           O  
HETATM   23  C20 UNL     1      -1.740   2.334  -2.325  1.00  0.00           C  
HETATM   24  O4  UNL     1      -1.415   3.120  -1.422  1.00  0.00           O  
HETATM   25  C21 UNL     1      -3.179   1.959  -2.528  1.00  0.00           C  
HETATM   26  C22 UNL     1      -4.039   2.407  -1.411  1.00  0.00           C  
HETATM   27  C23 UNL     1      -5.485   2.019  -1.634  1.00  0.00           C  
HETATM   28  C24 UNL     1      -5.489   0.501  -1.817  1.00  0.00           C  
HETATM   29  C25 UNL     1      -6.856  -0.082  -1.955  1.00  0.00           C  
HETATM   30  C26 UNL     1      -6.771  -1.597  -2.150  1.00  0.00           C  
HETATM   31  C27 UNL     1      -6.110  -1.909  -3.437  1.00  0.00           C  
HETATM   32  C28 UNL     1      -5.861  -3.336  -3.793  1.00  0.00           C  
HETATM   33  C29 UNL     1      -4.833  -4.108  -3.076  1.00  0.00           C  
HETATM   34  C30 UNL     1      -4.930  -4.259  -1.617  1.00  0.00           C  
HETATM   35  C31 UNL     1      -3.783  -5.138  -1.081  1.00  0.00           C  
HETATM   36  C32 UNL     1      -3.765  -6.507  -1.650  1.00  0.00           C  
HETATM   37  C33 UNL     1      -5.002  -7.284  -1.318  1.00  0.00           C  
HETATM   38  C34 UNL     1      -4.905  -8.683  -1.941  1.00  0.00           C  
HETATM   39  C35 UNL     1      -6.146  -9.434  -1.572  1.00  0.00           C  
HETATM   40  O5  UNL     1       2.642   1.389  -4.082  1.00  0.00           O  
HETATM   41  C36 UNL     1       3.296   2.042  -5.117  1.00  0.00           C  
HETATM   42  O6  UNL     1       2.477   2.372  -6.092  1.00  0.00           O  
HETATM   43  C37 UNL     1       4.671   2.409  -5.312  1.00  0.00           C  
HETATM   44  C38 UNL     1       5.537   2.519  -4.118  1.00  0.00           C  
HETATM   45  C39 UNL     1       5.607   1.225  -3.350  1.00  0.00           C  
HETATM   46  C40 UNL     1       6.666   1.360  -2.237  1.00  0.00           C  
HETATM   47  C41 UNL     1       6.737   0.035  -1.484  1.00  0.00           C  
HETATM   48  C42 UNL     1       7.785   0.005  -0.431  1.00  0.00           C  
HETATM   49  C43 UNL     1       7.610   1.041   0.605  1.00  0.00           C  
HETATM   50  C44 UNL     1       6.316   0.971   1.394  1.00  0.00           C  
HETATM   51  C45 UNL     1       6.158  -0.310   2.127  1.00  0.00           C  
HETATM   52  C46 UNL     1       4.962  -0.498   2.955  1.00  0.00           C  
HETATM   53  C47 UNL     1       4.692   0.298   4.148  1.00  0.00           C  
HETATM   54  C48 UNL     1       4.583   1.761   4.114  1.00  0.00           C  
HETATM   55  C49 UNL     1       4.221   2.219   5.548  1.00  0.00           C  
HETATM   56  C50 UNL     1       4.126   3.727   5.580  1.00  0.00           C  
HETATM   57  C51 UNL     1       5.432   4.388   5.183  1.00  0.00           C  
HETATM   58  H1  UNL     1       1.227   2.086   2.478  1.00  0.00           H  
HETATM   59  H2  UNL     1       2.068   3.661   2.975  1.00  0.00           H  
HETATM   60  H3  UNL     1       0.669   3.755   1.895  1.00  0.00           H  
HETATM   61  H4  UNL     1       0.401   2.587   4.680  1.00  0.00           H  
HETATM   62  H5  UNL     1       0.307   4.377   4.262  1.00  0.00           H  
HETATM   63  H6  UNL     1      -1.253   2.278   2.852  1.00  0.00           H  
HETATM   64  H7  UNL     1      -1.408   4.021   2.597  1.00  0.00           H  
HETATM   65  H8  UNL     1      -3.281   3.526   4.004  1.00  0.00           H  
HETATM   66  H9  UNL     1      -2.063   4.457   4.921  1.00  0.00           H  
HETATM   67  H10 UNL     1      -2.630   2.906   6.549  1.00  0.00           H  
HETATM   68  H11 UNL     1      -1.153   2.225   5.873  1.00  0.00           H  
HETATM   69  H12 UNL     1      -2.822   0.517   6.394  1.00  0.00           H  
HETATM   70  H13 UNL     1      -4.096   1.272   5.456  1.00  0.00           H  
HETATM   71  H14 UNL     1      -1.637  -0.000   4.097  1.00  0.00           H  
HETATM   72  H15 UNL     1      -3.134  -0.798   4.568  1.00  0.00           H  
HETATM   73  H16 UNL     1      -4.503   0.462   3.197  1.00  0.00           H  
HETATM   74  H17 UNL     1      -3.301   1.583   2.640  1.00  0.00           H  
HETATM   75  H18 UNL     1      -3.557  -0.048   0.947  1.00  0.00           H  
HETATM   76  H19 UNL     1      -3.607  -1.381   2.177  1.00  0.00           H  
HETATM   77  H20 UNL     1      -1.044   0.246   1.548  1.00  0.00           H  
HETATM   78  H21 UNL     1      -1.214  -1.207   2.599  1.00  0.00           H  
HETATM   79  H22 UNL     1      -1.759  -1.151  -0.412  1.00  0.00           H  
HETATM   80  H23 UNL     1      -2.018  -2.545   0.671  1.00  0.00           H  
HETATM   81  H24 UNL     1       0.075  -2.734  -0.508  1.00  0.00           H  
HETATM   82  H25 UNL     1       0.354  -2.598   1.228  1.00  0.00           H  
HETATM   83  H26 UNL     1       0.864  -0.156   1.010  1.00  0.00           H  
HETATM   84  H27 UNL     1       0.676  -0.291  -0.797  1.00  0.00           H  
HETATM   85  H28 UNL     1       3.114  -0.428  -0.024  1.00  0.00           H  
HETATM   86  H29 UNL     1       2.631  -1.906   0.866  1.00  0.00           H  
HETATM   87  H30 UNL     1       3.607  -2.562  -1.306  1.00  0.00           H  
HETATM   88  H31 UNL     1       1.902  -3.025  -1.210  1.00  0.00           H  
HETATM   89  H32 UNL     1      -0.346  -0.182  -4.164  1.00  0.00           H  
HETATM   90  H33 UNL     1       1.045  -0.789  -5.050  1.00  0.00           H  
HETATM   91  H34 UNL     1       0.856   1.572  -5.128  1.00  0.00           H  
HETATM   92  H35 UNL     1       0.908   1.755  -2.074  1.00  0.00           H  
HETATM   93  H36 UNL     1       0.749   3.096  -3.248  1.00  0.00           H  
HETATM   94  H37 UNL     1      -3.568   2.366  -3.495  1.00  0.00           H  
HETATM   95  H38 UNL     1      -3.134   0.843  -2.639  1.00  0.00           H  
HETATM   96  H39 UNL     1      -3.713   1.862  -0.488  1.00  0.00           H  
HETATM   97  H40 UNL     1      -3.924   3.502  -1.284  1.00  0.00           H  
HETATM   98  H41 UNL     1      -6.125   2.299  -0.784  1.00  0.00           H  
HETATM   99  H42 UNL     1      -5.872   2.476  -2.570  1.00  0.00           H  
HETATM  100  H43 UNL     1      -4.986   0.355  -2.807  1.00  0.00           H  
HETATM  101  H44 UNL     1      -4.974   0.067  -0.967  1.00  0.00           H  
HETATM  102  H45 UNL     1      -7.562   0.177  -1.158  1.00  0.00           H  
HETATM  103  H46 UNL     1      -7.296   0.353  -2.901  1.00  0.00           H  
HETATM  104  H47 UNL     1      -6.437  -2.093  -1.244  1.00  0.00           H  
HETATM  105  H48 UNL     1      -7.889  -1.892  -2.204  1.00  0.00           H  
HETATM  106  H49 UNL     1      -6.794  -1.476  -4.251  1.00  0.00           H  
HETATM  107  H50 UNL     1      -5.153  -1.334  -3.603  1.00  0.00           H  
HETATM  108  H51 UNL     1      -6.878  -3.876  -3.771  1.00  0.00           H  
HETATM  109  H52 UNL     1      -5.663  -3.339  -4.924  1.00  0.00           H  
HETATM  110  H53 UNL     1      -4.817  -5.132  -3.565  1.00  0.00           H  
HETATM  111  H54 UNL     1      -3.794  -3.717  -3.375  1.00  0.00           H  
HETATM  112  H55 UNL     1      -4.688  -3.276  -1.107  1.00  0.00           H  
HETATM  113  H56 UNL     1      -5.887  -4.590  -1.267  1.00  0.00           H  
HETATM  114  H57 UNL     1      -3.944  -5.198   0.015  1.00  0.00           H  
HETATM  115  H58 UNL     1      -2.834  -4.590  -1.237  1.00  0.00           H  
HETATM  116  H59 UNL     1      -2.915  -7.052  -1.149  1.00  0.00           H  
HETATM  117  H60 UNL     1      -3.514  -6.547  -2.730  1.00  0.00           H  
HETATM  118  H61 UNL     1      -5.950  -6.785  -1.599  1.00  0.00           H  
HETATM  119  H62 UNL     1      -5.089  -7.491  -0.218  1.00  0.00           H  
HETATM  120  H63 UNL     1      -3.964  -9.152  -1.602  1.00  0.00           H  
HETATM  121  H64 UNL     1      -4.825  -8.599  -3.049  1.00  0.00           H  
HETATM  122  H65 UNL     1      -5.954 -10.210  -0.785  1.00  0.00           H  
HETATM  123  H66 UNL     1      -6.944  -8.727  -1.253  1.00  0.00           H  
HETATM  124  H67 UNL     1      -6.516  -9.971  -2.490  1.00  0.00           H  
HETATM  125  H68 UNL     1       4.762   3.351  -5.960  1.00  0.00           H  
HETATM  126  H69 UNL     1       5.165   1.630  -6.009  1.00  0.00           H  
HETATM  127  H70 UNL     1       6.577   2.827  -4.449  1.00  0.00           H  
HETATM  128  H71 UNL     1       5.169   3.354  -3.443  1.00  0.00           H  
HETATM  129  H72 UNL     1       4.611   1.093  -2.815  1.00  0.00           H  
HETATM  130  H73 UNL     1       5.829   0.340  -3.943  1.00  0.00           H  
HETATM  131  H74 UNL     1       6.426   2.202  -1.583  1.00  0.00           H  
HETATM  132  H75 UNL     1       7.626   1.560  -2.748  1.00  0.00           H  
HETATM  133  H76 UNL     1       6.992  -0.767  -2.233  1.00  0.00           H  
HETATM  134  H77 UNL     1       5.753  -0.210  -1.068  1.00  0.00           H  
HETATM  135  H78 UNL     1       8.768   0.226  -0.953  1.00  0.00           H  
HETATM  136  H79 UNL     1       7.913  -1.027  -0.036  1.00  0.00           H  
HETATM  137  H80 UNL     1       7.587   2.048   0.094  1.00  0.00           H  
HETATM  138  H81 UNL     1       8.500   1.071   1.266  1.00  0.00           H  
HETATM  139  H82 UNL     1       5.511   1.090   0.593  1.00  0.00           H  
HETATM  140  H83 UNL     1       6.266   1.899   1.958  1.00  0.00           H  
HETATM  141  H84 UNL     1       7.114  -0.616   2.653  1.00  0.00           H  
HETATM  142  H85 UNL     1       6.107  -1.111   1.314  1.00  0.00           H  
HETATM  143  H86 UNL     1       4.067  -0.512   2.235  1.00  0.00           H  
HETATM  144  H87 UNL     1       4.946  -1.593   3.300  1.00  0.00           H  
HETATM  145  H88 UNL     1       3.686  -0.077   4.553  1.00  0.00           H  
HETATM  146  H89 UNL     1       5.375  -0.017   5.016  1.00  0.00           H  
HETATM  147  H90 UNL     1       5.523   2.326   3.937  1.00  0.00           H  
HETATM  148  H91 UNL     1       3.801   2.105   3.453  1.00  0.00           H  
HETATM  149  H92 UNL     1       5.007   1.915   6.265  1.00  0.00           H  
HETATM  150  H93 UNL     1       3.272   1.808   5.888  1.00  0.00           H  
HETATM  151  H94 UNL     1       3.349   4.142   4.935  1.00  0.00           H  
HETATM  152  H95 UNL     1       3.953   4.004   6.655  1.00  0.00           H  
HETATM  153  H96 UNL     1       5.527   4.554   4.092  1.00  0.00           H  
HETATM  154  H97 UNL     1       6.305   3.851   5.567  1.00  0.00           H  
HETATM  155  H98 UNL     1       5.444   5.396   5.656  1.00  0.00           H  
CONECT    1    2   58   59   60
CONECT    2    3   61   62
CONECT    3    4   63   64
CONECT    4    5   65   66
CONECT    5    6   67   68
CONECT    6    7   69   70
CONECT    7    8   71   72
CONECT    8    9   73   74
CONECT    9   10   75   76
CONECT   10   11   77   78
CONECT   11   12   79   80
CONECT   12   13   81   82
CONECT   13   14   83   84
CONECT   14   15   85   86
CONECT   15   16   87   88
CONECT   16   17   17   18
CONECT   18   19
CONECT   19   20   89   90
CONECT   20   21   40   91
CONECT   21   22   92   93
CONECT   22   23
CONECT   23   24   24   25
CONECT   25   26   94   95
CONECT   26   27   96   97
CONECT   27   28   98   99
CONECT   28   29  100  101
CONECT   29   30  102  103
CONECT   30   31  104  105
CONECT   31   32  106  107
CONECT   32   33  108  109
CONECT   33   34  110  111
CONECT   34   35  112  113
CONECT   35   36  114  115
CONECT   36   37  116  117
CONECT   37   38  118  119
CONECT   38   39  120  121
CONECT   39  122  123  124
CONECT   40   41
CONECT   41   42   42   43
CONECT   43   44  125  126
CONECT   44   45  127  128
CONECT   45   46  129  130
CONECT   46   47  131  132
CONECT   47   48  133  134
CONECT   48   49  135  136
CONECT   49   50  137  138
CONECT   50   51  139  140
CONECT   51   52  141  142
CONECT   52   53  143  144
CONECT   53   54  145  146
CONECT   54   55  147  148
CONECT   55   56  149  150
CONECT   56   57  151  152
CONECT   57  153  154  155
END
Download

SMILES for NP0001363 (TG(16:0/16:0/16:0))

[H]C(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Download

INCHI for NP0001363 (TG(16:0/16:0/16:0))

InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
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View in JSmolView NMR Assignments
Synonyms
ValueSource
1,2,3-Propanetriol trihexadecanoateChEBI
1,2,3-Propanetriyl trihexadecanoateChEBI
1,2,3-TrihexadecanoylglycerolChEBI
Glycerin tripalmitateChEBI
Glycerol tripalmitateChEBI
Glyceryl trihexadecanoateChEBI
Glyceryl tripalmitateChEBI
Hexadecanoic acid, 1,2,3-propanetriyl esterChEBI
Palmitic acid triglycerin esterChEBI
Palmitic triglycerideChEBI
TG 16:0/16:0/16:0ChEBI
Triglyceryl palmitateChEBI
TrihexadecanoylglycerolChEBI
TripalmitoylglycerolChEBI
1,2,3-Propanetriol trihexadecanoic acidGenerator
1,2,3-Propanetriyl trihexadecanoic acidGenerator
Glycerin tripalmitic acidGenerator
Glycerol tripalmitic acidGenerator
Glyceryl trihexadecanoic acidGenerator
Glyceryl tripalmitic acidGenerator
Hexadecanoate, 1,2,3-propanetriyl esterGenerator
Palmitate triglycerin esterGenerator
Triglyceryl palmitic acidGenerator
1,2,3-Trihexadecanoyl-sn-glycerolHMDB
Barolub LCDHMDB
Dynasan 116HMDB
Dynosan 114HMDB
Spezialfett 116HMDB
Triglyceride PPPHMDB
TripalmitateHMDB
TripalmitinHMDB
Tripalmitoyl glycerolHMDB
Glycero-tripalmitateHMDB
TripalmitylglycerolHMDB
1-Palmitoyl-2-palmitoyl-3-palmitoyl-glycerolHMDB
TG(48:0)HMDB
TriglycerideHMDB
Tracylglycerol(48:0)HMDB
TAG(16:0/16:0/16:0)HMDB
Tracylglycerol(16:0/16:0/16:0)HMDB
TAG(48:0)HMDB
1-Hexadecanoyl-2-hexadecanoyl-3-hexadecanoyl-glycerolHMDB
TriacylglycerolHMDB
TG(16:0/16:0/16:0)Lipid Annotator, ChEBI
Chemical FormulaC51H98O6
Average Mass807.3202 Da
Monoisotopic Mass806.73634 Da
IUPAC Name1,3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate
Traditional Nametripalmitin
CAS Registry Number555-44-2
SMILES
[H]C(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChI KeyPVNIQBQSYATKKL-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, CDCl3, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Abelmoschus esculentusFooDB
Actinidia chinensisFooDB
African marigoldLOTUS Database
Agaricus bisporusFooDB
AgaveFooDB
Allium ampeloprasumFooDB
Allium ascalonicumFooDB
Allium cepaFooDB
Allium cepa L.FooDB
Allium fistulosumFooDB
Allium sativumFooDB
Allium schoenoprasumFooDB
Allium tuberosumFooDB
Aloysia triphyllaFooDB
AmaranthusFooDB
Amelanchier alnifoliaFooDB
Anacardium occidentaleFooDB
Ananas comosusFooDB
Anethum graveolensFooDB
Angelica keiskeiFooDB
Annona cherimolaFooDB
Annona muricataFooDB
Annona reticulataFooDB
Annona squamosaFooDB
Anthriscus cerefoliumFooDB
Aphis gossypiiLOTUS Database
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
Apium graveolens var. rapaceumFooDB
Apium graveolens var. secalinumFooDB
Arachis hypogaeaFooDB
Arctium lappaFooDB
Armoracia rusticanaFooDB
Artemisia dracunculusFooDB
Artemisia vulgarisFooDB
Artocarpus altilisFooDB
Artocarpus heterophyllusFooDB
Asparagus officinalisFooDB
Attalea speciosaFooDB
Auricularia auricula-judaeFooDB
Auricularia polytrichaFooDB
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Basella albaFooDB
Benincasa hispidaFooDB
Bertholletia excelsaFooDB
Beta vulgarisFooDB
Beta vulgaris ssp. ciclaFooDB
Borago officinalisFooDB
Brassica alboglabraFooDB
Brassica junceaFooDB
Brassica napusFooDB
Brassica napus var. napusFooDB
Brassica oleraceaFooDB
Brassica oleracea var. botrytisFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. gemmiferaFooDB
Brassica oleracea var. gongylodesFooDB
Brassica oleracea var. italicaFooDB
Brassica oleracea var. sabaudaFooDB
Brassica oleracea var. viridisFooDB
Brassica rapaFooDB
Brassica rapa ssp. chinensisFooDB
Brassica rapa var. pekinensisFooDB
Brassica rapa var. rapaFooDB
Brassica ruvoFooDB
Brosimum alicastrumFooDB
Byrsonima crassifoliaFooDB
Cajanus cajanFooDB
Canarium ovatumFooDB
Cantharellus cibariusFooDB
Capparis spinosaFooDB
Capsicum annuumFooDB
Capsicum annuum L.FooDB
Capsicum annuum var. annuumFooDB
Capsicum chinenseFooDB
Capsicum pubescensFooDB
Carica papaya L.FooDB
Carissa macrocarpaFooDB
Carthamus tinctoriusFooDB
Carum carviFooDB
CaryaFooDB
Carya illinoinensisFooDB
CastaneaFooDB
Castanea crenataFooDB
Castanea mollissimaFooDB
Castanea sativaFooDB
Ceratonia siliquaFooDB
Chamaemelum nobileFooDB
Chamerion angustifoliumFooDB
Chenopodium albumFooDB
Chenopodium quinoaFooDB
Chrysanthemum coronariumFooDB
Cicer arietinumFooDB
Cichorium endiviaFooDB
Cichorium intybusFooDB
CinnamomumFooDB
Cinnamomum aromaticumFooDB
Cinnamomum verumFooDB
CirsiumFooDB
Citrullus lanatusFooDB
Citrus ×limon (L.) Burm. f. (pro sp.)FooDB
Citrus aurantiifoliaFooDB
Citrus latifoliaFooDB
Citrus limonFooDB
Citrus maximaFooDB
Citrus paradisiFooDB
Citrus reticulataFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Cocos nuciferaFooDB
Coffea arabica L.FooDB
Coffea canephoraFooDB
Colocasia esculentaFooDB
Corchorus olitoriusFooDB
Coriandrum sativum L.FooDB
CorylusFooDB
Corylus avellanaFooDB
Crateva religiosaFooDB
Crocus sativusFooDB
Cucumis meloFooDB
Cucumis metuliferusFooDB
Cucumis sativus L.FooDB
CucurbitaFooDB
Cucurbita maximaFooDB
Cucurbita moschataFooDB
Cuminum cyminumFooDB
Curcuma longaFooDB
Cydonia oblongaFooDB
Cymbopogon citratusFooDB
Cynara cardunculusFooDB
Cynara scolymusFooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Dimocarpus longanFooDB
DioscoreaFooDB
Dioscorea pentaphyllaFooDB
DiospyrosFooDB
Diospyros kakiFooDB
Diospyros virginianaFooDB
Durio zibethinusFooDB
Dysphania ambrosioidesFooDB
ElaeisFooDB
Eleocharis dulcisFooDB
Elettaria cardamomumFooDB
Empetrum nigrumFooDB
Eragrostis tefFooDB
Eriobotrya japonicaFooDB
Eruca vesicaria subsp. SativaFooDB
Eugenia javanicaFooDB
Eugenia unifloraFooDB
Eutrema japonicumFooDB
Fagopyrum esculentumFooDB
Fagopyrum tataricumFooDB
FagusFooDB
Feijoa sellowianaFooDB
Ficus caricaFooDB
Flammulina velutipesFooDB
Foeniculum vulgareFooDB
Fragaria x ananassaFooDB
Garcinia mangostanaFooDB
Gaylussacia baccataFooDB
Ginkgo bilobaFooDB
Glycine maxFooDB
GossypiumFooDB
Grifola frondosaFooDB
Hedysarum alpinumFooDB
Helianthus annuus L.FooDB
Helianthus tuberosusFooDB
Hibiscus sabbariffaFooDB
Hippophae rhamnoidesFooDB
Hordeum vulgareFooDB
Hyssopus officinalis L.FooDB
Illicium verumFooDB
Ipomoea aquaticaFooDB
Ipomoea batatasFooDB
JuglansFooDB
Juglans ailanthifoliaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Juglans regiaFooDB
Lablab purpureusFooDB
Lactuca sativaFooDB
Lagenaria sicerariaFooDB
Lathyrus sativusFooDB
Laurus nobilis L.FooDB
Lens culinarisFooDB
Lentinus edodesFooDB
Lepidium sativumFooDB
Levisticum officinaleFooDB
Linum usitatissimumFooDB
Litchi chinensisFooDB
Luffa aegyptiacaFooDB
LupinusFooDB
Lupinus albusFooDB
MacadamiaFooDB
Macadamia tetraphyllaFooDB
Malpighia emarginataFooDB
MalusFooDB
Malus pumilaFooDB
Mammea americanaFooDB
Mangifera indicaFooDB
Manihot esculentaFooDB
Manilkara zapotaFooDB
Maranta arundinaceaFooDB
Matricaria recutitaFooDB
Matteuccia struthiopterisFooDB
Medicago sativaFooDB
Melissa officinalis L.FooDB
MenthaFooDB
Mentha aquaticaFooDB
Mentha arvensisFooDB
Mentha spicataFooDB
Mentha x piperitaFooDB
Mespilus germanicaFooDB
Metroxylon saguFooDB
Momordica charantiaFooDB
MorchellaceaeFooDB
Morella rubraFooDB
Moringa oleiferaFooDB
MorusFooDB
Morus nigraFooDB
Musa acuminataFooDB
Musa x paradisiacaFooDB
MyricaFooDB
Myristica fragransFooDB
NelumboFooDB
Nelumbo nuciferaFooDB
Nephelium lappaceumFooDB
Nuphar luteaFooDB
Ocimum basilicumFooDB
Oenothera biennisFooDB
Olea europaeaFooDB
OpuntiaFooDB
Opuntia cochenilliferaFooDB
Opuntia macrorhizaFooDB
Origanum majoranaFooDB
Origanum onitesFooDB
Origanum vulgareFooDB
Origanum X majoricumFooDB
Oryza rufipogonFooDB
Oryza sativaFooDB
Pachyrhizus erosusFooDB
Panax ginsengFooDB
Pangium eduleFooDB
Panicum miliaceumFooDB
Passiflora edulisFooDB
Pastinaca sativaFooDB
Pediomelum esculentumFooDB
Perideridia oreganaFooDB
Persea americanaFooDB
Petasites japonicusFooDB
Petroselinum crispumFooDB
Phaseolus coccineusFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
Phoenix dactyliferaFooDB
Photinia melanocarpaFooDB
Phyllostachys edulisFooDB
PhysalisFooDB
Physalis philadelphica var. immaculataFooDB
Phytolacca americanaFooDB
Pimenta dioicaFooDB
Pimpinella anisumFooDB
PinusFooDB
Pinus edulisFooDB
Piper nigrum L.FooDB
Pistacia veraFooDB
Pisum sativumFooDB
Pleurotus ostreatusFooDB
Polygonum alpinumFooDB
Portulaca oleraceaFooDB
Pouteria sapotaFooDB
Prunus armeniacaFooDB
Prunus aviumFooDB
Prunus avium L.FooDB
Prunus cerasusFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Prunus persica var. nucipersicaFooDB
Prunus persica var. persicaFooDB
Prunus tomentosaFooDB
Prunus virginianaFooDB
Pseudostellaria heterophyllaLOTUS Database
Psidium cattleianumFooDB
Psidium guajavaFooDB
Psophocarpus tetragonolobusFooDB
Punica granatumFooDB
Pyrus communisFooDB
Pyrus pyrifoliaFooDB
QuercusFooDB
Raphanus sativusFooDB
Raphanus sativus var. longipinnatusFooDB
Raphanus sativus var. sativusFooDB
Rheum rhabarbarumFooDB
Ribes aureumFooDB
Ribes glandulosumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
RosaFooDB
Rubus arcticusFooDB
Rubus chamaemorusFooDB
Rubus idaeusFooDB
Rubus occidentalisFooDB
Rubus spectabilisFooDB
RumexFooDB
Rumex acetosaFooDB
Rumex articusFooDB
Sagittaria latifoliaFooDB
Salix pulchraFooDB
Salvia elegansFooDB
Salvia hispanicaFooDB
Salvia officinalisFooDB
Salvia rosmarinusFooDB
Sambucus nigraFooDB
Sambucus nigra L.FooDB
Satureja hortensis L.FooDB
Satureja montanaFooDB
Sciadopitys verticillataLOTUS Database
Scorzonera hispanicaFooDB
Secale cerealeFooDB
Sechium eduleFooDB
Sesamum indicumFooDB
Sesbania bispinosaFooDB
Sinapis albaFooDB
SisymbriumFooDB
Solanum lycopersicumFooDB
Solanum lycopersicum var. cerasiformeFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum quitoenseFooDB
Solanum tuberosumFooDB
Sorbus aucupariaFooDB
Sorghum bicolorFooDB
Spinacia oleraceaFooDB
Syzygium aromaticumFooDB
Syzygium cuminiFooDB
Syzygium jambosFooDB
Tamarindus indicaFooDB
Taraxacum officinaleFooDB
Tetragonia tetragonioidesFooDB
ThelespermaFooDB
Thymus pulegioidesFooDB
Thymus vulgarisFooDB
Tilia cordataFooDB
Tilia L.FooDB
Tragopogon porrifoliusFooDB
Trigonella foenum-graecumFooDB
TriticumFooDB
Triticum aestivumFooDB
Triticum durumFooDB
Triticum speltaFooDB
Triticum turanicumFooDB
Typha angustifoliaFooDB
VacciniumFooDB
Vaccinium angustifoliumFooDB
Vaccinium angustifolium X Vaccinium corymbosumFooDB
Vaccinium arboreumFooDB
Vaccinium corymbosumFooDB
Vaccinium deliciosumFooDB
Vaccinium elliottiiFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtilloidesFooDB
Vaccinium myrtillusFooDB
Vaccinium ovalifoliumFooDB
Vaccinium ovatumFooDB
Vaccinium oxycoccosFooDB
Vaccinium parvifoliumFooDB
Vaccinium reticulatumFooDB
Vaccinium stamineumFooDB
Vaccinium uliginosumFooDB
Vaccinium vitis-idaeaFooDB
Valerianella locustaFooDB
VanillaFooDB
Verbena officinalisFooDB
Viburnum eduleFooDB
Vicia fabaFooDB
Vigna aconitifoliaFooDB
Vigna angularisFooDB
Vigna mungoFooDB
Vigna radiataFooDB
Vigna umbellataFooDB
Vigna unguiculataFooDB
Vigna unguiculata ssp. cylindricaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vigna unguiculata var. sesquipedalisFooDB
VitisFooDB
Vitis aestivalisFooDB
Vitis labruscaFooDB
Vitis rotundifoliaFooDB
Vitis vinifera L.FooDB
Xanthosoma sagittifoliumFooDB
Zea mays L.FooDB
Zingiber officinaleFooDB
ZizaniaFooDB
Zizania aquaticaFooDB
Ziziphus zizyphusFooDB
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerolipids
Sub ClassTriradylcglycerols
Direct ParentTriacylglycerols
Alternative Parents
Substituents
  • Triacyl-sn-glycerol
  • Tricarboxylic acid or derivatives
  • Fatty acid ester
  • Fatty acyl
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point66.50 °C. @ 760.00 mm HgThe Good Scents Company Information System
Boiling Point315.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility8.0e-18 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP21.615 (est)The Good Scents Company Information System
Predicted Properties
PropertyValueSource
Water Solubility1.2e-05 g/LALOGPS
logP10.59ALOGPS
logP18.92ChemAxon
logS-7.8ALOGPS
pKa (Strongest Basic)-6.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area78.9 ŲChemAxon
Rotatable Bond Count50ChemAxon
Refractivity241.29 m³·mol⁻¹ChemAxon
Polarizability109.39 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0005356
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB002911
KNApSAcK IDNot Available
Chemspider ID10674
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID3857
PubChem Compound11147
PDB IDNot Available
ChEBI ID77393
Good Scents IDrw1294291
References
General References
  1. Pal A, Gupta S, Jaiswal A, Dube A, Vyas SP: Development and evaluation of tripalmitin emulsomes for the treatment of experimental visceral leishmaniasis. J Liposome Res. 2012 Mar;22(1):62-71. doi: 10.3109/08982104.2011.592495. Epub 2011 Jul 8. [PubMed:21740098 ]
  2. Qin XL, Yang B, Huang HH, Wang YH: Lipase-catalyzed incorporation of different Fatty acids into tripalmitin-enriched triacylglycerols: effect of reaction parameters. J Agric Food Chem. 2012 Mar 7;60(9):2377-84. doi: 10.1021/jf300088c. Epub 2012 Feb 23. [PubMed:22360498 ]
  3. Jensen RG, Ferris AM, Lammi-Keefe CJ: The composition of milk fat. J Dairy Sci. 1991 Sep;74(9):3228-43. doi: 10.3168/jds.S0022-0302(91)78509-3. [PubMed:1779072 ]