NP-MRD: Showing NP-Card for 2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid (NP0324564)

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Record Information

Version

2.0

Created at

2022-09-12 04:43:11 UTC

Updated at

2022-09-12 04:43:11 UTC

NP-MRD ID

NP0324564

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid

Description

S-632-C belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. 2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid is found in Streptomyces hygroscopicus. 2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid was first documented in 1993 (PMID: 8294240). Based on a literature review very few articles have been published on S-632-C.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 47  0  0  0  0  0  0  0  0999 V2000
   -7.4798   -0.9637    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5050   -0.6032    0.8849 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0957    0.1077   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9798    0.3870   -1.1305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7344    0.6337   -0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8493    0.2624    0.9672 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6511   -1.2148    1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1199   -1.7356   -0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3241   -2.9045   -0.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3656   -0.8813   -0.9146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6686    0.1715   -0.2771 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3675   -0.4029    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5338    0.6100    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358    1.0205    1.9347 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7066    1.1918    0.0843 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    1.7403   -1.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6911    0.1718   -0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9151    0.2012    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4739    1.2162    1.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   -0.8663   -0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1091   -0.9161    0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9569   -2.0434   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4749    0.8708    0.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2361   -0.2587   -1.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2997    0.3968   -1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8112    1.7616   -0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2519    0.6775    1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5271   -1.7765    1.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8661   -1.3331    1.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4803    0.9231   -1.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0961   -0.9546   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6555   -1.2024    0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0692    2.0838    0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0888    2.2960   -1.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9811    0.9370   -1.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3989    2.4593   -1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824   -0.6511   -0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0585    0.7464    1.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8392    1.9507    1.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2724    1.7623    0.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4771   -1.6350   -0.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4972   -0.1473    0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2922   -2.9211   -0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4653   -1.7592   -1.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -2.2579    0.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6589    1.9574    0.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9879    0.8920    1.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 21  1  0
 21 20  2  0
 20 18  1  0
 18 19  1  0
 18 17  2  0
 17 15  1  0
 15 16  1  0
 15 13  1  0
 13 14  2  0
 13 12  1  0
 12 11  1  0
 11 23  1  0
 23  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  1  0
  3  2  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 22 43  1  0
 22 44  1  0
 22 45  1  0
 21 42  1  0
 20 41  1  0
 19 38  1  0
 19 39  1  0
 19 40  1  0
 17 37  1  0
 15 33  1  1
 16 34  1  0
 16 35  1  0
 16 36  1  0
 12 31  1  0
 12 32  1  0
 11 30  1  6
 23 46  1  0
 23 47  1  0
  6 27  1  1
  5 25  1  0
  5 26  1  0
  4 24  1  0
  2  1  1  0
  7 28  1  0
  7 29  1  0
M  END


  Mrv1652309122206432D          

 22 22  0  0  0  0            999 V2000
   -2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 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  2  0  0  0  0
 16 18  1  0  0  0  0
 14 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
 12 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0324564

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C\C(\C)=C\C(C)C(=O)CC1CC(CC(O)=N)CC(=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C17H25NO4/c1-4-5-11(2)6-12(3)15(19)10-14-7-13(8-16(18)20)9-17(21)22-14/h4-6,12-14H,7-10H2,1-3H3,(H2,18,20)/b5-4+,11-6+

> <INCHI_KEY>
FFZDOSTVPSVWNB-LJIKRCSCSA-N

> <FORMULA>
C17H25NO4

> <MOLECULAR_WEIGHT>
307.39

> <EXACT_MASS>
307.178358289

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
33.817911921896396

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{2-[(4E,6E)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid

> <JCHEM_LOGP>
0.0189222318862489

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.1532083796109

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.38224912663741595

> <JCHEM_PKA_STRONGEST_BASIC>
12.826177735216184

> <JCHEM_POLAR_SURFACE_AREA>
87.45

> <JCHEM_REFRACTIVITY>
96.6088

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-{2-[(4E,6E)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.001  11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       5.335  -3.080   0.000  0.00  0.00           N+0
HETATM   18  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   22                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   14   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   12                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Value	Source
6-(3,5-Dimethyl-2-oxo-4,6-octadienyl)-4-carbamoylmethyl-3,4,5,6-tetrahydro-2-pyrone	MeSH
Antibiotic S 632-C	MeSH

Chemical Formula

C₁₇H₂₅NO₄

Average Mass

307.3900 Da

Monoisotopic Mass

307.17836 Da

IUPAC Name

2-{2-[(4E,6E)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid

Traditional Name

2-{2-[(4E,6E)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid

CAS Registry Number

Not Available

SMILES

C\C=C\C(\C)=C\C(C)C(=O)CC1CC(CC(O)=N)CC(=O)O1

InChI Identifier

InChI=1S/C17H25NO4/c1-4-5-11(2)6-12(3)15(19)10-14-7-13(8-16(18)20)9-17(21)22-14/h4-6,12-14H,7-10H2,1-3H3,(H2,18,20)/b5-4+,11-6+

InChI Key

FFZDOSTVPSVWNB-LJIKRCSCSA-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
Streptomyces hygroscopicus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactones

Sub Class

Delta valerolactones

Direct Parent

Delta valerolactones

Alternative Parents

Substituents

Delta valerolactone
Delta_valerolactone
Oxane
Carboxamide group
Carboxylic acid ester
Ketone
Primary carboxylic acid amide
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Oxacycle
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organic nitrogen 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	0.019	ChemAxon
pKa (Strongest Acidic)	-0.38	ChemAxon
pKa (Strongest Basic)	12.83	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	87.45 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	96.61 m³·mol⁻¹	ChemAxon
Polarizability	33.82 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

4942916

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6438439

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Urakawa A, Otani T, Yoshida K, Nakayama M, Suzukake-Tsuchiya K, Hori M: Isolation, structure determination and biological activities of a novel antifungal antibiotic, S-632-C, closely related to glutarimide antibiotics. J Antibiot (Tokyo). 1993 Dec;46(12):1827-33. doi: 10.7164/antibiotics.46.1827. [PubMed:8294240 ]
LOTUS database [Link]

Showing NP-Card for 2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid (NP0324564)

MOL for NP0324564 (2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid)

3D MOL for NP0324564 (2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid)

3D SDF for NP0324564 (2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid)

3D-SDF for NP0324564 (2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid)

PDB for NP0324564 (2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid)

3D PDB for NP0324564 (2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid)

SMILES for NP0324564 (2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid)

INCHI for NP0324564 (2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid)

Structure for NP0324564 (2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid)

3D Structure for NP0324564 (2-{2-[(4e,6e)-3,5-dimethyl-2-oxoocta-4,6-dien-1-yl]-6-oxooxan-4-yl}ethanimidic acid)