NP-MRD: Showing NP-Card for ethyl arachidate (NP0247521)

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Record Information

Version

2.0

Created at

2022-09-07 09:24:18 UTC

Updated at

2022-09-07 09:24:18 UTC

NP-MRD ID

NP0247521

Secondary Accession Numbers

None

Natural Product Identification

Common Name

ethyl arachidate

Description

Ethyl arachidate, also known as ethyl eicosanoate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl arachidate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 68 67  0  0  0  0  0  0  0  0999 V2000
   -9.7265   -0.7898   -0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4336   -1.2205    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2689   -0.7567   -0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9418   -1.1246    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6406   -0.5806    1.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6705    0.8705    1.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8791    1.8160    0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4519    2.0009    0.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4044    1.1221    0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2260   -0.2136    0.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041   -0.8982    0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -0.0911    0.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3771   -0.8798   -0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6716   -0.0791    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7574   -0.8788   -0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1352   -0.2079   -0.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1487    1.1062   -1.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4466    1.8277   -1.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321    2.2092    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3808    1.0521    0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0790    0.9943    2.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509   -0.0130    0.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4384   -1.1732    1.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1533   -2.0659    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1858   -0.0143    0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4886   -0.2838   -1.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4025   -1.6440   -0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4358   -2.3161    0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3610   -0.7911    1.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3540    0.3247   -0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3372   -1.2665   -1.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1258   -0.9466   -0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -2.2503    0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7910   -1.0851    1.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5243   -0.9700    2.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7787    1.2053    1.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4497    1.0872    2.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2578    1.8772   -0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3057    2.8690    1.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0873    2.4163    1.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2472    3.0195    0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4670    0.9511   -0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3847    1.6734    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0902   -0.8606    0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192   -0.2671    2.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591   -1.9064    0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2180   -1.0933   -0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1883    0.8430   -0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4147    0.1773    1.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126   -1.0453   -1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5313   -1.8495    0.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8027    0.0053    1.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366    0.9379   -0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8105   -1.8606   -0.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5933   -1.0925   -1.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3351   -0.1372    0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8834   -0.8622   -0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3471    1.7482   -0.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    1.0481   -2.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3701    2.7833   -1.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2098    1.2140   -1.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9853    2.7875    0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3139    2.8973    0.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5744   -1.6847    1.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1754   -0.8751    1.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7315   -1.3786   -0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4148   -2.6242   -0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8278   -2.7868    0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
  7 38  1  0
  7 39  1  0
  8 40  1  0
  8 41  1  0
  9 42  1  0
  9 43  1  0
 10 44  1  0
 10 45  1  0
 11 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 15 54  1  0
 15 55  1  0
 16 56  1  0
 16 57  1  0
 17 58  1  0
 17 59  1  0
 18 60  1  0
 18 61  1  0
 19 62  1  0
 19 63  1  0
 23 64  1  0
 23 65  1  0
 24 66  1  0
 24 67  1  0
 24 68  1  0
M  END


  Mrv1533004251512592D          

 24 23  0  0  0  0            999 V2000
   11.6605    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0895    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8039    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5184    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2329    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9474    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6618    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3763    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0908    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8052    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5197    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2342    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9487    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6631    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3776    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0921    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8065    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5210    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2355    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2355    6.3197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9499    7.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6644    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3789    7.5572    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  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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0247521

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCC(=O)OCC

> <INCHI_IDENTIFIER>
InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h3-21H2,1-2H3

> <INCHI_KEY>
YBKSMWBLSBAFBQ-UHFFFAOYSA-N

> <FORMULA>
C22H44O2

> <MOLECULAR_WEIGHT>
340.592

> <EXACT_MASS>
340.334130657

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
47.04162146788158

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethyl icosanoate

> <ALOGPS_LOGP>
9.35

> <JCHEM_LOGP>
8.537559448333335

> <ALOGPS_LOGS>
-7.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.032123337017739

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
105.00529999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.91e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethyl eicosanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      21.766  14.107   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      23.100  13.337   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      24.434  14.107   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      25.767  13.337   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      27.101  14.107   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      28.435  13.337   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      29.768  14.107   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      31.102  13.337   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      32.436  14.107   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      33.769  13.337   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      35.103  14.107   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      36.437  13.337   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      37.770  14.107   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      39.104  13.337   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      40.438  14.107   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      41.772  13.337   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      43.105  14.107   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      44.439  13.337   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      45.773  14.107   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      47.106  13.337   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      47.106  11.797   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      48.440  14.107   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      49.774  13.337   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      51.107  14.107   0.000  0.00  0.00           C+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                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   46    0
END

View in JSmol

Synonyms

Value	Source
Arachidic acid, ethyl ester	ChEBI
Eicosanoic acid, ethyl ester	ChEBI
Ethyl eicosanoate	ChEBI
Arachidate, ethyl ester	Generator
Eicosanoate, ethyl ester	Generator
Ethyl eicosanoic acid	Generator
Ethyl arachidic acid	Generator

Chemical Formula

C₂₂H₄₄O₂

Average Mass

340.5920 Da

Monoisotopic Mass

340.33413 Da

IUPAC Name

ethyl icosanoate

Traditional Name

ethyl eicosanoate

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC

InChI Identifier

InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h3-21H2,1-2H3

InChI Key

YBKSMWBLSBAFBQ-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acid esters

Direct Parent

Fatty acid esters

Alternative Parents

Substituents

Fatty acid 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

long-chain fatty acid ethyl ester (CHEBI:84859 )

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	9.35	ALOGPS
logP	8.54	ChemAxon
logS	-7.2	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	20	ChemAxon
Refractivity	105.01 m³·mol⁻¹	ChemAxon
Polarizability	47.04 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

29009

PDB ID

Not Available

ChEBI ID

84859

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for ethyl arachidate (NP0247521)

MOL for NP0247521 (ethyl arachidate)

3D MOL for NP0247521 (ethyl arachidate)

3D SDF for NP0247521 (ethyl arachidate)

3D-SDF for NP0247521 (ethyl arachidate)

PDB for NP0247521 (ethyl arachidate)

3D PDB for NP0247521 (ethyl arachidate)

SMILES for NP0247521 (ethyl arachidate)

INCHI for NP0247521 (ethyl arachidate)

Structure for NP0247521 (ethyl arachidate)

3D Structure for NP0247521 (ethyl arachidate)