NP-MRD: Showing NP-Card for 2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid (NP0165953)

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Record Information

Version

2.0

Created at

2022-09-03 01:13:31 UTC

Updated at

2022-09-03 01:13:32 UTC

NP-MRD ID

NP0165953

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid

Description

2-[(2R,3R)-3-[(5E)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). 2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid is found in Hormococcus conorum. Based on a literature review very few articles have been published on 2-[(2R,3R)-3-[(5E)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 51  0  0  0  0  0  0  0  0999 V2000
    6.5942    1.2833   -2.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2469    0.4922   -1.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2645   -0.2034   -0.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4959   -0.0856   -0.9170 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269   -1.0668    0.3677 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8141    0.3169   -1.1467 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4064   -0.5656   -0.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4333    0.7292    0.2665 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2157    1.5699    0.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1559    1.0524    1.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6311   -0.2965    0.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619   -0.7285    1.8860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    0.2082    1.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7973   -0.2454    1.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230   -1.6829    1.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9161    0.7108    1.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6504    0.9535    0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2748   -0.2538   -0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0538    0.1022   -1.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6363   -1.2277   -1.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4301   -1.0046   -3.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6298    1.4254   -2.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8562    1.8057   -3.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5591   -1.3077    1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616    0.4881   -1.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.9579    0.9801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441    1.7427   -0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5072    2.5823    0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5159    1.0169    2.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2880    1.7671    1.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1990   -0.2046   -0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4026   -1.0871    0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2905   -1.7464    1.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854   -0.7740    2.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4222    1.2745    2.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1106   -1.9502    1.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6007   -2.0336    0.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5241   -2.3131    2.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5438    1.7235    2.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6683    0.4364    2.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3634    1.8043    0.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8876    1.3376   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0084   -0.7420    0.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4858   -0.9627   -0.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9083    0.7687   -1.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3675    0.5318   -2.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2289   -1.7103   -1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8251   -1.9378   -2.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0372   -1.9197   -3.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0220   -0.0857   -3.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6793   -0.9457   -4.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 14  1  0
 14 15  1  0
 14 13  2  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  2  1  0
  2  1  2  3
  2  3  1  0
  3  5  1  0
  3  4  2  0
  6  8  1  0
 21 49  1  0
 21 50  1  0
 21 51  1  0
 20 47  1  0
 20 48  1  0
 19 45  1  0
 19 46  1  0
 18 43  1  0
 18 44  1  0
 17 41  1  0
 17 42  1  0
 16 39  1  0
 16 40  1  0
 15 36  1  0
 15 37  1  0
 15 38  1  0
 13 35  1  0
 12 33  1  0
 12 34  1  0
 11 31  1  0
 11 32  1  0
 10 29  1  0
 10 30  1  0
  9 27  1  0
  9 28  1  0
  8 26  1  1
  6 25  1  6
  1 22  1  0
  1 23  1  0
  5 24  1  0
M  END


  Mrv1652309032203132D          

 21 21  0  0  1  0            999 V2000
   -4.8099    8.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8099    9.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5243    9.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2388    9.5388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5243   10.7763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0954    9.9513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6829   10.6658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    9.9513    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5559    9.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559    8.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    8.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    7.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    7.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414    5.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    5.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    5.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454    5.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  6  2  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  6  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  2  0  0  0  0
 14 15  1  0  0  0  0
 14 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  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0165953

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC\C(C)=C\CCCC[C@H]1O[C@@H]1C(=C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H30O3/c1-4-5-6-8-11-14(2)12-9-7-10-13-16-17(21-16)15(3)18(19)20/h12,16-17H,3-11,13H2,1-2H3,(H,19,20)/b14-12+/t16-,17-/m1/s1

> <INCHI_KEY>
WSCIWZRMZZZKRD-SIMUAJLNSA-N

> <FORMULA>
C18H30O3

> <MOLECULAR_WEIGHT>
294.435

> <EXACT_MASS>
294.219494826

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
36.23927381177081

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(2R,3R)-3-[(5E)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid

> <ALOGPS_LOGP>
5.58

> <JCHEM_LOGP>
5.445318940333333

> <ALOGPS_LOGS>
-5.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.55885751122236

> <JCHEM_PKA_STRONGEST_BASIC>
-4.238273994761839

> <JCHEM_POLAR_SURFACE_AREA>
49.83

> <JCHEM_REFRACTIVITY>
86.22699999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.56e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2R,3R)-3-[(5E)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      -8.978  16.266   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.978  17.806   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -10.312  18.576   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0     -11.646  17.806   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0     -10.312  20.116   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -7.645  18.576   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -6.875  19.909   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -6.105  18.576   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.771  17.806   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.771  16.266   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.437  15.496   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.437  13.956   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.104  13.186   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.104  11.646   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.437  10.876   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.770  10.876   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.564  11.646   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.897  10.876   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.231  11.646   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.565  10.876   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.898  11.646   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2    7    8                                                  
CONECT    7    6    8                                                       
CONECT    8    7    6    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   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END

View in JSmol

Synonyms

Value	Source
2-[(2R,3R)-3-[(5E)-6-Methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoate	Generator

Chemical Formula

C₁₈H₃₀O₃

Average Mass

294.4350 Da

Monoisotopic Mass

294.21949 Da

IUPAC Name

2-[(2R,3R)-3-[(5E)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid

Traditional Name

2-[(2R,3R)-3-[(5E)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid

CAS Registry Number

Not Available

SMILES

CCCCCC\C(C)=C\CCCC[C@H]1O[C@@H]1C(=C)C(O)=O

InChI Identifier

InChI=1S/C18H30O3/c1-4-5-6-8-11-14(2)12-9-7-10-13-16-17(21-16)15(3)18(19)20/h12,16-17H,3-11,13H2,1-2H3,(H,19,20)/b14-12+/t16-,17-/m1/s1

InChI Key

WSCIWZRMZZZKRD-SIMUAJLNSA-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
Hormococcus conorum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Epoxides

Sub Class

Not Available

Direct Parent

Epoxides

Alternative Parents

Substituents

Oxacycle
Monocarboxylic acid or derivatives
Ether
Oxirane
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	5.58	ALOGPS
logP	5.45	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	4.56	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	49.83 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	86.23 m³·mol⁻¹	ChemAxon
Polarizability	36.24 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	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

57262142

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

90474111

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid (NP0165953)

MOL for NP0165953 (2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid)

3D MOL for NP0165953 (2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid)

3D SDF for NP0165953 (2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid)

3D-SDF for NP0165953 (2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid)

PDB for NP0165953 (2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid)

3D PDB for NP0165953 (2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid)

SMILES for NP0165953 (2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid)

INCHI for NP0165953 (2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid)

Structure for NP0165953 (2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid)

3D Structure for NP0165953 (2-[(2r,3r)-3-[(5e)-6-methyldodec-5-en-1-yl]oxiran-2-yl]prop-2-enoic acid)