NP-MRD: Showing NP-Card for (2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid (NP0246120)

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Record Information

Version

2.0

Created at

2022-09-07 07:28:03 UTC

Updated at

2022-09-07 07:28:03 UTC

NP-MRD ID

NP0246120

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid

Description

N-Isobutyl-2,4,8,10,12-tetradecapentaenamide, also known as g-sanshool, belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. Thus, N-isobutyl-2,4,8,10,12-tetradecapentaenamide is considered to be a fatty amide lipid molecule. N-Isobutyl-2,4,8,10,12-tetradecapentaenamide is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, N-Isobutyl-2,4,8,10,12-tetradecapentaenamide has been detected, but not quantified in, herbs and spices. (2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid is found in Zanthoxylum piperitum. This could make N-isobutyl-2,4,8,10,12-tetradecapentaenamide a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 46  0  0  0  0  0  0  0  0999 V2000
   10.3226   -0.9310    1.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8403   -0.7608    1.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2807   -0.2893    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8451   -0.1579    0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1592    0.3156   -0.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7784    0.4353   -0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815    0.5406   -0.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2015    0.6617   -0.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3958    0.3342    0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0382    0.5478   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9411   -0.3974    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3471   -0.1566   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986   -1.1299   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6181   -1.0364   -0.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3241   -2.0486   -0.0771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2052    0.1317   -0.8077 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5652    0.4117   -1.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5495    0.4128   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2286    1.4232    1.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9709   -0.9146    0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6549   -0.1358    2.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7319   -0.8018    0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5040   -1.9151    1.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2523   -1.0467    2.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8552   -0.0070   -0.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2229   -0.4182    0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8711    0.5535   -1.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7566    0.9495   -2.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    0.0398    0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654   -0.0292   -1.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8890    1.7138   -1.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918    1.0378    1.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6135   -0.6797    0.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3700    1.5262   -0.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5917   -1.3664    0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6456    0.8012   -0.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8326   -2.1227    0.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5217    0.9438   -0.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9312   -0.3470   -1.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6424    1.3860   -1.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5174    0.8416   -0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7378    2.2922    0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5291    0.9305    1.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1473    1.7949    1.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0664   -0.8869    0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3527   -1.1933    1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9721   -1.6543   -0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  4 26  1  0
  5 27  1  0
  6 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  0
 12 36  1  0
 13 37  1  0
 16 38  1  0
 17 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 19 43  1  0
 19 44  1  0
 20 45  1  0
 20 46  1  0
 20 47  1  0
M  END


  Mrv0541 02241216432D          

 20 19  0  0  0  0            999 V2000
   -5.0038    0.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2890    0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5742    0.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8593    0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1445    0.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296    0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7148    0.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7148    0.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296    0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    0.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593    0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740    0.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2890    0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0038    0.4992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2890    1.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0038   -0.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4199   -0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4199   -1.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5934   -0.9111    0.0000 C   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  2  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0246120

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+

> <INCHI_KEY>
KVUKDCFEXVWYBN-FMBIJHKPSA-N

> <FORMULA>
C18H27NO

> <MOLECULAR_WEIGHT>
273.4131

> <EXACT_MASS>
273.209264491

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
35.493439901871966

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E,4E,8E,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide

> <ALOGPS_LOGP>
5.30

> <JCHEM_LOGP>
4.578618938666667

> <ALOGPS_LOGS>
-5.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.35418549683771

> <JCHEM_PKA_STRONGEST_BASIC>
2.245613940279428

> <JCHEM_POLAR_SURFACE_AREA>
29.1

> <JCHEM_REFRACTIVITY>
93.9044

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.44e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E,8E,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -9.340   0.932   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.006   1.701   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.672   0.932   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.337   1.701   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.003   0.932   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.669   1.701   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334   0.932   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   1.701   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   0.932   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.669   1.701   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.003   0.932   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.337   1.701   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.671   0.932   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.006   1.701   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       9.340   0.932   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0       8.006   3.243   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       9.340  -0.611   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.250  -1.701   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.250  -3.243   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.708  -1.701   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                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14   17                                                       
CONECT   16   14                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

View in JSmol

Synonyms

Value	Source
g-Sanshool	HMDB

Chemical Formula

C₁₈H₂₇NO

Average Mass

273.4131 Da

Monoisotopic Mass

273.20926 Da

IUPAC Name

(2E,4E,8E,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide

Traditional Name

(2E,4E,8E,10E,12E)-N-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide

CAS Registry Number

Not Available

SMILES

C\C=C\C=C\C=C\CC\C=C\C=C\C(=O)NCC(C)C

InChI Identifier

InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8+,13-12+,15-14+

InChI Key

KVUKDCFEXVWYBN-FMBIJHKPSA-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
Zanthoxylum piperitum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty amides

Direct Parent

N-acyl amines

Alternative Parents

Substituents

N-acyl-amine
Secondary carboxylic acid amide
Carboxamide group
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
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
logP	5.3	ALOGPS
logP	4.58	ChemAxon
logS	-5.3	ALOGPS
pKa (Strongest Acidic)	16.35	ChemAxon
pKa (Strongest Basic)	2.25	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	29.1 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	93.9 m³·mol⁻¹	ChemAxon
Polarizability	35.49 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0031184

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB003203

KNApSAcK ID

Not Available

Chemspider ID

4477068

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

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METLIN ID

Not Available

PubChem Compound

5318518

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid (NP0246120)

MOL for NP0246120 ((2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid)

3D MOL for NP0246120 ((2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid)

3D SDF for NP0246120 ((2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid)

3D-SDF for NP0246120 ((2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid)

PDB for NP0246120 ((2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid)

3D PDB for NP0246120 ((2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid)

SMILES for NP0246120 ((2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid)

INCHI for NP0246120 ((2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid)

Structure for NP0246120 ((2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid)

3D Structure for NP0246120 ((2e,4e,8e,10e,12e)-n-(2-methylpropyl)tetradeca-2,4,8,10,12-pentaenimidic acid)