NP-MRD: Showing NP-Card for ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate (NP0237758)

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Record Information

Version

2.0

Created at

2022-09-06 20:59:47 UTC

Updated at

2022-09-06 20:59:47 UTC

NP-MRD ID

NP0237758

Secondary Accession Numbers

None

Natural Product Identification

Common Name

ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate

Description

Ethyl (5Z,8Z,11R,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate belongs to the class of organic compounds known as other hydroxyeicosapolyenoic acids. These are hydroxyeicosapolyenoic acids which do not belong to the Hydroxyeicosapentaenoic acids, the Hydroxyeicosatetraenoic acids, or the Hydroxyeicosatrienoic acids. ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate is found in Phymatolithon calcareum. Based on a literature review very few articles have been published on ethyl (5Z,8Z,11R,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 61 60  0  0  0  0  0  0  0  0999 V2000
    8.1908    1.9314   -0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9017    1.1463    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792    0.0265   -0.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4974   -0.7161   -0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4794   -1.8112   -1.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4043   -2.7292   -1.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2707   -2.7889   -1.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7635   -1.9462   -0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5366   -2.1360    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0490   -1.2336    1.2583 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2062   -1.7926    2.5226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3956   -0.8448    1.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4747   -0.1589   -0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858    1.0718   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3384    1.9334    0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7503    2.2997    0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7519    2.0031    1.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6665    1.2764    2.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3689   -0.0249    2.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8055    0.0145    2.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1261    0.3107    0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3169    0.2268   -0.2549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4286    0.7243    0.3941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7647    1.0161   -0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5610   -0.1856   -1.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0824    2.7845    0.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0257    1.2901    0.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4269    2.2894   -1.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    1.8381   -0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8348    0.7020    1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6867   -0.7148   -0.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9316    0.4238   -1.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7352    0.0473   -1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4473   -1.0830    0.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4169   -2.4715   -1.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8361   -1.4274   -2.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5205   -3.5509   -2.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5507   -3.6066   -1.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830   -1.1255    0.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9707   -2.9546   -0.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6430   -0.2976    1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4682   -1.5085    3.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8015   -0.3635    1.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9562   -1.8255    0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1622   -0.7043   -1.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9081    1.4968   -1.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7499    2.8947    0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2230    1.5264    1.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0118    2.8584   -0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7378    2.4138    0.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6092    1.1956    2.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1493    1.9520    3.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2644   -0.4358    3.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8179   -0.7553    1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3060    0.7191    2.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2516   -0.9808    2.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1533    1.8532   -1.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8385    1.3230   -0.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3852   -1.0727   -1.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6925   -0.0124   -2.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4467   -0.3309   -2.4652 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  5 36  1  0
  6 37  1  0
  7 38  1  0
  8 39  1  0
  9 40  1  0
 10 41  1  1
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 14 46  1  0
 15 47  1  0
 15 48  1  0
 16 49  1  0
 17 50  1  0
 18 51  1  0
 18 52  1  0
 19 53  1  0
 19 54  1  0
 20 55  1  0
 20 56  1  0
 24 57  1  0
 24 58  1  0
 25 59  1  0
 25 60  1  0
 25 61  1  0
M  END


  Mrv1652309062222592D          

 25 24  0  0  1  0            999 V2000
    3.9039   10.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   10.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    9.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    8.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    8.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    7.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    6.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    5.1414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9039    5.5539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0237758

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCC\C=C/C=C/[C@H](O)C\C=C/C\C=C/CCCC(=O)OCC

> <INCHI_IDENTIFIER>
InChI=1S/C22H36O3/c1-3-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22(24)25-4-2/h8-9,11-13,15-16,18,21,23H,3-7,10,14,17,19-20H2,1-2H3/b11-8-,12-9-,16-13-,18-15+/t21-/m0/s1

> <INCHI_KEY>
HMSZURWPEYGCQR-CLEBDPORSA-N

> <FORMULA>
C22H36O3

> <MOLECULAR_WEIGHT>
348.527

> <EXACT_MASS>
348.266445019

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
42.095333161103184

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethyl (5Z,8Z,11R,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate

> <JCHEM_LOGP>
5.8590617546666675

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.72081997446215

> <JCHEM_PKA_STRONGEST_BASIC>
-1.608711705388989

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
110.9872

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
ethyl (5Z,8Z,11R,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       7.287  19.607   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.954  18.837   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.954  17.297   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.620  16.527   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.620  14.987   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.286  14.217   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.286  12.677   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.620  11.907   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.620  10.367   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.954   9.597   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.287  10.367   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.954   8.057   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.287   7.287   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.287   5.747   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.954   4.977   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.620   5.747   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.286   4.977   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       7.287   1.127   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       8.621   3.437   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.288   3.437   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   12                                                  
CONECT   11   10                                                            
CONECT   12   10   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   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   48    0
END

View in JSmol

Synonyms

Value	Source
Ethyl (5Z,8Z,11R,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoic acid	Generator

Chemical Formula

C₂₂H₃₆O₃

Average Mass

348.5270 Da

Monoisotopic Mass

348.26645 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCC\C=C/C=C/[C@H](O)C\C=C/C\C=C/CCCC(=O)OCC

InChI Identifier

InChI=1S/C22H36O3/c1-3-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22(24)25-4-2/h8-9,11-13,15-16,18,21,23H,3-7,10,14,17,19-20H2,1-2H3/b11-8-,12-9-,16-13-,18-15+/t21-/m0/s1

InChI Key

HMSZURWPEYGCQR-CLEBDPORSA-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
Phymatolithon calcareum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as other hydroxyeicosapolyenoic acids. These are hydroxyeicosapolyenoic acids which do not belong to the Hydroxyeicosapentaenoic acids, the Hydroxyeicosatetraenoic acids, or the Hydroxyeicosatrienoic acids.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Eicosanoids

Direct Parent

Other hydroxyeicosapolyenoic acids

Alternative Parents

Substituents

Hydroxyeicosapolyenoic acid
Fatty alcohol
Fatty acid ester
Secondary alcohol
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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

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

10248405

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14775052

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate (NP0237758)

MOL for NP0237758 (ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate)

3D MOL for NP0237758 (ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate)

3D SDF for NP0237758 (ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate)

3D-SDF for NP0237758 (ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate)

PDB for NP0237758 (ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate)

3D PDB for NP0237758 (ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate)

SMILES for NP0237758 (ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate)

INCHI for NP0237758 (ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate)

Structure for NP0237758 (ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate)

3D Structure for NP0237758 (ethyl (5z,8z,11r,12e,14z)-11-hydroxyicosa-5,8,12,14-tetraenoate)