NP-MRD: Showing NP-Card for (2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol (NP0236726)

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Record Information

Version

1.0

Created at

2022-09-06 19:41:55 UTC

Updated at

2022-09-06 19:41:55 UTC

NP-MRD ID

NP0236726

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol

Description

(2E)-2-{2-[(2R,3R)-3-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol is found in Montanoa tomentosa. It was first documented in 2022 (PMID: 36088123). Based on a literature review a significant number of articles have been published on (2E)-2-{2-[(2R,3R)-3-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol (PMID: 36088122) (PMID: 36088121) (PMID: 36088120) (PMID: 36088119).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 57 57  0  0  0  0  0  0  0  0999 V2000
    5.5574   -0.4396   -1.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253   -0.9658   -0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2428   -2.4072   -0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9782   -0.1444    0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6741    1.2933    0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5189    1.6911    1.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2794    0.9521    0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549   -0.5028    0.8587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.6452    0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9883    0.9430   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0834    1.4716    0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4474    0.8718    0.5887 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5439   -0.6073    0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4620    1.6898    1.0756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3286    1.5195   -0.3968 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5394    0.8611   -0.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5800    0.4936    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7507   -0.1505   -0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1029   -1.3731   -0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4226   -2.2361    0.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0334   -3.3965    0.1395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5821    0.5592   -1.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6457   -0.2374   -1.8815 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    0.3617   -2.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5119   -0.0361   -1.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5830   -1.2305   -2.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0684   -2.6648    0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6208   -3.0505   -1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3331   -2.5152   -0.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2583   -0.5019    1.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5496    1.9303    0.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4280    1.5316   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6946    1.5634    2.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3501    2.8010    0.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509   -0.9795    1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0629   -0.9654   -0.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157   -0.7565    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    2.7345    0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0187   -0.1356   -0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6848    1.2317   -1.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1815    1.2505    1.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1152    2.5830    0.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0373   -0.9053    1.7100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2124   -1.0020   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5876   -1.1474    0.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9189    2.4393   -0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2648   -0.0662   -1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0203    1.5307   -1.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1183    0.0107    0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8687    1.5224    0.5249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0084   -1.8348   -0.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5284   -1.8751    1.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2041   -2.5482    1.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7473   -3.0939   -0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0532    1.4841   -1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9795    0.9254   -2.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4506   -0.1219   -1.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 12 11  1  6
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 22  1  0
 22 23  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 15 12  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  6 34  1  0
  8 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 13 43  1  0
 13 44  1  0
 13 45  1  0
 15 46  1  6
 16 47  1  0
 16 48  1  0
 17 49  1  0
 17 50  1  0
 22 55  1  0
 22 56  1  0
 23 57  1  0
 19 51  1  0
 20 52  1  0
 20 53  1  0
 21 54  1  0
M  END


  Mrv1652309062221412D          

 23 23  0  0  1  0            999 V2000
    6.4991    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8671    1.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0103    1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0918    2.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4599    1.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846    1.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526    1.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1959    0.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2774    1.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6454    1.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701    1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    0.8888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3938    1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507    0.1743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1743    0.1743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8888   -0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8888   -1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6033   -1.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6033   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8888   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8888   -3.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3178   -1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0322   -1.4757    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
  2  4  2  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
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0236726

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC\C(C)=C\CC[C@@]1(C)O[C@@H]1CC\C(CO)=C/CO

> <INCHI_IDENTIFIER>
InChI=1S/C20H34O3/c1-16(2)7-5-8-17(3)9-6-13-20(4)19(23-20)11-10-18(15-22)12-14-21/h7,9,12,19,21-22H,5-6,8,10-11,13-15H2,1-4H3/b17-9+,18-12+/t19-,20-/m1/s1

> <INCHI_KEY>
LFYMJFPNNFFEMZ-WWPZXGFGSA-N

> <FORMULA>
C20H34O3

> <MOLECULAR_WEIGHT>
322.489

> <EXACT_MASS>
322.250794955

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
39.2873219595444

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-2-{2-[(2R,3R)-3-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol

> <JCHEM_LOGP>
3.6402591810000002

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.76206255606855

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.022426827515368

> <JCHEM_PKA_STRONGEST_BASIC>
-2.527553935255696

> <JCHEM_POLAR_SURFACE_AREA>
52.989999999999995

> <JCHEM_REFRACTIVITY>
99.32249999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-2-{2-[(2R,3R)-3-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol

> <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      12.132   4.502   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.952   3.512   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.219   1.995   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.505   4.039   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.325   3.049   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.878   3.575   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.698   2.585   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.966   1.069   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.251   3.112   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.071   2.122   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.624   2.649   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.445   1.659   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.735   2.649   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.215   0.325   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -0.325   0.325   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.659  -0.445   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.659  -1.985   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.993  -2.755   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.993  -4.295   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.659  -5.065   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.659  -6.605   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -4.326  -1.985   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -5.660  -2.755   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   12   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   18   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₄O₃

Average Mass

322.4890 Da

Monoisotopic Mass

322.25079 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)=CCC\C(C)=C\CC[C@@]1(C)O[C@@H]1CC\C(CO)=C/CO

InChI Identifier

InChI=1S/C20H34O3/c1-16(2)7-5-8-17(3)9-6-13-20(4)19(23-20)11-10-18(15-22)12-14-21/h7,9,12,19,21-22H,5-6,8,10-11,13-15H2,1-4H3/b17-9+,18-12+/t19-,20-/m1/s1

InChI Key

LFYMJFPNNFFEMZ-WWPZXGFGSA-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
Montanoa tomentosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Fatty alcohol
Fatty acyl
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
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

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

162904615

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Xu X, Rothrock MJ Jr, Reeves J, Kumar GD, Mishra A: Using E. coli population to predict foodborne pathogens in pastured poultry farms. Food Microbiol. 2022 Dec;108:104092. doi: 10.1016/j.fm.2022.104092. Epub 2022 Jul 14. [PubMed:36088123 ]
Lanzl MI, Zwietering MH, Abee T, den Besten HMW: Combining enrichment with multiplex real-time PCR leads to faster detection and identification of Campylobacter spp. in food compared to ISO 10272-1:2017. Food Microbiol. 2022 Dec;108:104117. doi: 10.1016/j.fm.2022.104117. Epub 2022 Aug 19. [PubMed:36088122 ]
Cacciatore FA, Maders C, Alexandre B, Barreto Pinilla CM, Brandelli A, da Silva Malheiros P: Carvacrol encapsulation into nanoparticles produced from chia and flaxseed mucilage: Characterization, stability and antimicrobial activity against Salmonella and Listeria monocytogenes. Food Microbiol. 2022 Dec;108:104116. doi: 10.1016/j.fm.2022.104116. Epub 2022 Aug 18. [PubMed:36088121 ]
Liu X, Li Y, Micallef SA: Developmentally related and drought-induced shifts in the kale metabolome limited Salmonella enterica association, providing novel insights to enhance food safety. Food Microbiol. 2022 Dec;108:104113. doi: 10.1016/j.fm.2022.104113. Epub 2022 Aug 18. [PubMed:36088120 ]
Dos Santos AMP, Panzenhagen P, Ferrari RG, Conte-Junior CA: Large-scale genomic analysis reveals the pESI-like megaplasmid presence in Salmonella Agona, Muenchen, Schwarzengrund, and Senftenberg. Food Microbiol. 2022 Dec;108:104112. doi: 10.1016/j.fm.2022.104112. Epub 2022 Aug 12. [PubMed:36088119 ]
LOTUS database [Link]

Showing NP-Card for (2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol (NP0236726)

MOL for NP0236726 ((2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol)

3D MOL for NP0236726 ((2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol)

3D SDF for NP0236726 ((2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol)

3D-SDF for NP0236726 ((2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol)

PDB for NP0236726 ((2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol)

3D PDB for NP0236726 ((2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol)

SMILES for NP0236726 ((2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol)

INCHI for NP0236726 ((2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol)

Structure for NP0236726 ((2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol)

3D Structure for NP0236726 ((2e)-2-{2-[(2r,3r)-3-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3-methyloxiran-2-yl]ethyl}but-2-ene-1,4-diol)