NP-MRD: Showing NP-Card for 10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid (NP0326575)

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Record Information

Version

2.0

Created at

2022-09-12 08:15:20 UTC

Updated at

2022-09-12 08:15:21 UTC

NP-MRD ID

NP0326575

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid

Description

10-[3-(Oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid belongs to the class of organic compounds known as hepoxilins. These are eicosanoids containing an oxirane group attached to the fatty acyl chain. 10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid is found in Mus musculus. 10-[3-(Oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 55 55  0  0  0  0  0  0  0  0999 V2000
   -6.3198    2.4817    0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7149    1.0778    1.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1142    0.2362    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1601    0.0407   -0.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8575   -0.5946   -0.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8443   -0.0100    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6457    0.3747   -0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5848    0.9757    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661    0.0605    0.3068 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8153   -1.2828    0.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269   -0.4349    1.4566 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5433   -1.1702    1.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5288   -2.3878    0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2920   -2.5755   -0.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2775   -1.6111   -0.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6686   -2.1755   -0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6725   -1.6700   -0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6592   -0.4749    0.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6285    0.5813    0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3885    1.0926   -1.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0829    1.7503   -1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2776    1.8841   -0.4848 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7188    2.2324   -2.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9208    2.7670   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5350    3.1774    1.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2297    2.4719    0.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6642    1.2198    1.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9395    0.6498    1.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0305    0.7499   -0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5630   -0.7473    0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7178   -0.6051   -1.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0872    1.0237   -1.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4088   -0.7478   -1.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0511   -1.6758   -0.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9765    0.1278    1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    0.2336   -1.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356    1.0614    1.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3759    1.9739    0.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0376   -0.0256   -0.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0781   -0.0839    2.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3838   -0.4995    1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7061   -1.5509    2.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8267   -3.2015    0.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207   -3.5221   -0.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0510   -1.5000   -2.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2232   -0.6380   -0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   -3.0906   -1.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6503   -2.1888   -0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0019   -0.7183    1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719   -0.0189    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5103    1.4422    0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6398    0.1781    0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4864    0.3144   -2.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1919    1.8358   -1.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9652    3.1866   -2.9369 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  1  0
  9 10  1  0
 10 11  1  0
 11 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 23  1  0
 21 22  2  0
 11  9  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  6
 11 40  1  1
 12 41  1  0
 12 42  1  0
 13 43  1  0
 14 44  1  0
 15 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 18 50  1  0
 19 51  1  0
 19 52  1  0
 20 53  1  0
 20 54  1  0
 23 55  1  0
M  END


  Mrv1533005011518182D          

 23 23  0  0  0  0            999 V2000
   -9.1776    5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4631    5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7487    5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0342    5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3197    5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6052    5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8908    5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1763    5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1763    6.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5888    7.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7638    7.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0493    7.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    7.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204    5.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    5.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    5.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    5.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    6.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    5.0013    0.0000 O   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
  6  5  1  4  0  0  0
  6  7  2  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  4  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  4  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
M  END
> <DATABASE_ID>
NP0326575

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC=CCC1OC1CC=CCC=CCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)

> <INCHI_KEY>
DXOYQVHGIODESM-UHFFFAOYSA-N

> <FORMULA>
C20H32O3

> <MOLECULAR_WEIGHT>
320.473

> <EXACT_MASS>
320.23514489

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
38.60201939442159

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid

> <ALOGPS_LOGP>
6.25

> <JCHEM_LOGP>
5.649173906

> <ALOGPS_LOGS>
-5.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.819771840930504

> <JCHEM_PKA_STRONGEST_BASIC>
-4.207091543707248

> <JCHEM_POLAR_SURFACE_AREA>
49.83

> <JCHEM_REFRACTIVITY>
98.3583

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.27e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-MAY-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-MAY-15         0                                  
HETATM    1  C   UNK     0     -17.132   9.542   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -15.798  10.312   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -14.464   9.542   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -13.130  10.312   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -11.797   9.542   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -10.463  10.312   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.129   9.542   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.796  10.312   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -7.796  11.852   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -8.566  13.186   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -7.026  13.186   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.692  13.956   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.358  13.186   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.358  11.646   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.025  10.876   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.691  11.646   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.357  10.876   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.976  11.646   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.310  10.876   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.644  11.646   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.977  10.876   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.311  11.646   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.977   9.336   0.000  0.00  0.00           O+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   11                                                  
CONECT   10    9   11                                                       
CONECT   11   10    9   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   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
10-[3-(Oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoate	Generator
11,12-Epoxy-5,8,14-eicosatrienoic acid	MeSH
11,12-Epoxy-5,8,14-eicosatrienoic acid, (2alpha(5Z,8Z),3alpha(Z))-isomer	MeSH
11(12)-Epoxy-5Z,8Z,14Z-eicosatrienoic acid	MeSH
11,12-EET	MeSH
11,12-Epoxyeicosatrienoic acid	MeSH
11,12-Oxido-5,8,14-eicosatrienoic acid	MeSH

Chemical Formula

C₂₀H₃₂O₃

Average Mass

320.4730 Da

Monoisotopic Mass

320.23514 Da

IUPAC Name

10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid

Traditional Name

10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid

CAS Registry Number

Not Available

SMILES

CCCCCC=CCC1OC1CC=CCC=CCCCC(O)=O

InChI Identifier

InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)

InChI Key

DXOYQVHGIODESM-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
Mus musculus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hepoxilins. These are eicosanoids containing an oxirane group attached to the fatty acyl chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Eicosanoids

Direct Parent

Hepoxilins

Alternative Parents

Substituents

Hepoxilin
Medium-chain fatty acid
Epoxy fatty acid
Heterocyclic fatty acid
Unsaturated fatty acid
Fatty acid
Carboxylic acid derivative
Carboxylic acid
Dialkyl ether
Oxirane
Ether
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Oxacycle
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Organic oxygen compound
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	6.25	ALOGPS
logP	5.65	ChemAxon
logS	-6	ALOGPS
pKa (Strongest Acidic)	4.82	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	14	ChemAxon
Refractivity	98.36 m³·mol⁻¹	ChemAxon
Polarizability	38.6 Å³	ChemAxon
Number of Rings	1	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

1407

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid (NP0326575)

MOL for NP0326575 (10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid)

3D MOL for NP0326575 (10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid)

3D SDF for NP0326575 (10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid)

3D-SDF for NP0326575 (10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid)

PDB for NP0326575 (10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid)

3D PDB for NP0326575 (10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid)

SMILES for NP0326575 (10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid)

INCHI for NP0326575 (10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid)

Structure for NP0326575 (10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid)

3D Structure for NP0326575 (10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,8-dienoic acid)