NP-MRD: Showing NP-Card for methyl 3,7,11,15-tetramethylhexadecanoate (NP0330691)

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Record Information

Version

2.0

Created at

2022-09-12 16:16:56 UTC

Updated at

2022-09-12 16:16:57 UTC

NP-MRD ID

NP0330691

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 3,7,11,15-tetramethylhexadecanoate

Description

Methyl 3,7,11,15-tetramethylhexadecanoate belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. methyl 3,7,11,15-tetramethylhexadecanoate is found in Euphausia superba. Methyl 3,7,11,15-tetramethylhexadecanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 65 64  0  0  0  0  0  0  0  0999 V2000
    9.1635    0.9243    1.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8984    1.1442    1.3747 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9304    0.1711    1.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0995   -0.9341    2.0052 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5956    0.4574    0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2664   -0.6180   -0.1747 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3547   -0.7083   -1.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9911   -0.2127   -0.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8620   -0.0748    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5883    0.3639   -0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0259   -0.4792   -1.7171 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8588   -0.6454   -2.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -0.2511   -2.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4089   -0.5817   -1.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4305   -0.0335    0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7063   -0.5293    1.0451 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6652    0.0719    2.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9527   -0.2850    0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1463   -0.7665    1.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4369   -0.5500    0.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7359    0.8682    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8199    1.7288    1.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0652    0.9017   -0.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2075    1.3691    2.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9133    1.3888    1.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -0.1658    2.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8257    0.4110    1.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395    1.4606    0.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1002   -1.6093    0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4890    0.3307   -1.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832   -1.1471   -0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9012   -1.2670   -2.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8577   -1.0867   -1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1702    0.7375   -1.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0936    0.6647    0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6620   -1.0386    0.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758    1.3887   -1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820    0.7136    0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954   -1.5631   -1.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1190   -0.4894   -3.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101   -1.6624   -3.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5893    0.1588   -3.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5275    0.8382   -2.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417   -0.8192   -3.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4413   -0.2841   -1.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5301   -1.7209   -0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4422    1.0460    0.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5795   -0.4185    0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5971   -1.6478    1.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2740   -0.5010    3.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891    1.1345    2.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6193    0.0286    2.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9448   -1.0211   -0.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0782    0.6983   -0.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0563   -1.8498    1.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1300   -0.2397    2.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2445   -0.8948    1.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4835   -1.2431   -0.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9746    1.3382   -0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3177    2.6895    0.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7844    2.0103    1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3840    1.2306    2.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6911    0.0432   -0.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8611    0.9853   -1.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5349    1.8859   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  1
  7 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  1
 12 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 14 45  1  0
 14 46  1  0
 15 47  1  0
 15 48  1  0
 16 49  1  1
 17 50  1  0
 17 51  1  0
 17 52  1  0
 18 53  1  0
 18 54  1  0
 19 55  1  0
 19 56  1  0
 20 57  1  0
 20 58  1  0
 21 59  1  0
 22 60  1  0
 22 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
 23 65  1  0
M  END


  Mrv1533004171505002D          

 23 22  0  0  0  0            999 V2000
    7.2336    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    5.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    4.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8059    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5204    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2349    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9493    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9493    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6638    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3783    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0927    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8072    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8072    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5217    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9506    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3796    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651    4.1763    0.0000 C   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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  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
 11 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  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0330691

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C21H42O2/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-20(5)16-21(22)23-6/h17-20H,7-16H2,1-6H3

> <INCHI_KEY>
LAWJUFPULQZGLF-UHFFFAOYSA-N

> <FORMULA>
C21H42O2

> <MOLECULAR_WEIGHT>
326.565

> <EXACT_MASS>
326.318480592

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
43.1076378467536

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 3,7,11,15-tetramethylhexadecanoate

> <ALOGPS_LOGP>
8.05

> <JCHEM_LOGP>
7.550553219000001

> <ALOGPS_LOGS>
-7.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.026936806654227

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
100.04709999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.39e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 3,7,11,15-tetramethylhexadecanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      13.503   9.336   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      14.836  10.106   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      16.170   9.336   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      16.170   7.796   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      17.504  10.106   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      18.837   9.336   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      18.837   7.796   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      20.171  10.106   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      21.505   9.336   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      22.838  10.106   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      24.172   9.336   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      24.172   7.796   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      25.506  10.106   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      26.839   9.336   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      28.173  10.106   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      29.507   9.336   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      29.507   7.796   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      30.840  10.106   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      32.174   9.336   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      33.508  10.106   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      34.842   9.336   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      36.175  10.106   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      34.842   7.796   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Value	Source
Methyl 3,7,11,15-tetramethylhexadecanoic acid	Generator
Methyl phytanic acid	Generator

Chemical Formula

C₂₁H₄₂O₂

Average Mass

326.5650 Da

Monoisotopic Mass

326.31848 Da

IUPAC Name

methyl 3,7,11,15-tetramethylhexadecanoate

Traditional Name

methyl 3,7,11,15-tetramethylhexadecanoate

CAS Registry Number

Not Available

SMILES

COC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C

InChI Identifier

InChI=1S/C21H42O2/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-20(5)16-21(22)23-6/h17-20H,7-16H2,1-6H3

InChI Key

LAWJUFPULQZGLF-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Euphausia superba	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Acyclic diterpenoids

Alternative Parents

Substituents

Acyclic diterpenoid
Fatty acid methyl ester
Fatty acid ester
Fatty acyl
Methyl ester
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	8.05	ALOGPS
logP	7.55	ChemAxon
logS	-7.4	ALOGPS
pKa (Strongest Basic)	-7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	26.3 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	100.05 m³·mol⁻¹	ChemAxon
Polarizability	43.11 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

568163

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 3,7,11,15-tetramethylhexadecanoate (NP0330691)

MOL for NP0330691 (methyl 3,7,11,15-tetramethylhexadecanoate)

3D MOL for NP0330691 (methyl 3,7,11,15-tetramethylhexadecanoate)

3D SDF for NP0330691 (methyl 3,7,11,15-tetramethylhexadecanoate)

3D-SDF for NP0330691 (methyl 3,7,11,15-tetramethylhexadecanoate)

PDB for NP0330691 (methyl 3,7,11,15-tetramethylhexadecanoate)

3D PDB for NP0330691 (methyl 3,7,11,15-tetramethylhexadecanoate)

SMILES for NP0330691 (methyl 3,7,11,15-tetramethylhexadecanoate)

INCHI for NP0330691 (methyl 3,7,11,15-tetramethylhexadecanoate)

Structure for NP0330691 (methyl 3,7,11,15-tetramethylhexadecanoate)

3D Structure for NP0330691 (methyl 3,7,11,15-tetramethylhexadecanoate)