NP-MRD: Showing NP-Card for (2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid (NP0265419)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-08 09:23:33 UTC

Updated at

2022-09-08 09:23:33 UTC

NP-MRD ID

NP0265419

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid

Description

(2S,4E)-4-[(2Z)-2-[(1-carboxyethyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid belongs to the class of organic compounds known as alanine and derivatives. (2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid is found in Beta vulgaris. Alanine and derivatives are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom (2S,4E)-4-[(2Z)-2-[(1-carboxyethyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 34 34  0  0  0  0  0  0  0  0999 V2000
    4.7930   -0.8186    0.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3898   -0.2086    0.6478 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7501   -0.8612   -0.4444 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4749   -0.7808   -0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6921   -0.0051    0.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6165    0.1005    0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4225    0.8865    1.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7351    0.9960    1.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4977    1.7916    1.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7426    1.8579    1.8942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8606    2.4819    3.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115    0.2967   -0.0038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7838   -0.7999   -0.6703 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0019   -2.0435    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6630   -2.0313    1.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4822   -3.2368   -0.3908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272   -0.5632   -0.9715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6004    1.2444    0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1477    1.9906    1.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1787    1.8005   -0.7722 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4376   -0.5041   -0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7434   -1.9208    0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2689   -0.5000    1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9101   -0.3747    1.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0868   -1.3095   -1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.5021    1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9305    1.4368    1.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3747    3.3615    2.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3647    0.5958   -0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.9266   -1.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4799   -3.4048   -0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2300   -0.0211   -1.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8871   -1.5797   -1.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5025    2.5473   -0.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 17  1  0
 17 13  1  0
 13 12  1  0
 12  8  1  0
  8  7  2  0
  8  9  1  0
  9 11  1  0
  9 10  2  0
 13 14  1  0
 14 16  1  0
 14 15  2  0
  2 18  1  0
 18 20  1  0
 18 19  2  0
  7  6  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  1
  4 25  1  0
  5 26  1  0
 17 32  1  0
 17 33  1  0
 13 30  1  6
 12 29  1  0
  7 27  1  0
 11 28  1  0
 16 31  1  0
 20 34  1  0
M  END


  Mrv1652304022019352D          

 20 20  0  0  0  0            999 V2000
   -1.1160   -0.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305   -0.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305   -1.7518    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1160   -2.1642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015   -1.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015   -0.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128   -2.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128   -2.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273   -1.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450   -2.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2595   -1.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5449   -2.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305    0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305    1.5482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160    1.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160    2.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305    3.1982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4016    3.1982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4016    1.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  3 10  1  6  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
  1 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0265419

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H14N2O6/c1-6(10(15)16)13-3-2-7-4-8(11(17)18)14-9(5-7)12(19)20/h2-4,6,9,14H,5H2,1H3,(H,15,16)(H,17,18)(H,19,20)/b7-2-,13-3-/t6?,9-/m0/s1

> <INCHI_KEY>
XZPOAQOHKACLJQ-XUJQLLKGSA-N

> <FORMULA>
C12H14N2O6

> <MOLECULAR_WEIGHT>
282.252

> <EXACT_MASS>
282.085186179

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
27.20965903641141

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,4E)-4-[(2Z)-2-[(1-carboxyethyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid

> <ALOGPS_LOGP>
0.79

> <JCHEM_LOGP>
-3.4362616792091933

> <ALOGPS_LOGS>
-2.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.485046087938454

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.623029042201237

> <JCHEM_PKA_STRONGEST_BASIC>
8.752929183494762

> <JCHEM_POLAR_SURFACE_AREA>
136.29

> <JCHEM_REFRACTIVITY>
68.31230000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.19e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,4E)-4-[(2Z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-APR-20         0                                  
HETATM    1  C   UNK     0      -2.083  -0.960   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.417  -1.730   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.417  -3.270   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -2.083  -4.040   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -0.749  -3.270   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.749  -1.730   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.584  -4.040   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.584  -5.580   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       1.918  -3.270   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -4.751  -4.040   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -6.084  -3.270   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -4.750  -5.580   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.083   0.580   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.417   1.350   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      -3.417   2.890   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      -2.083   3.660   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.083   5.200   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -3.417   5.970   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -0.750   5.970   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -0.750   2.890   0.000  0.00  0.00           C+0
CONECT    1    2    6   13                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    6    4    7                                                  
CONECT    6    1    5                                                       
CONECT    7    5    9    8                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    3   12   11                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    1   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   20                                                  
CONECT   17   16   19   18                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   16                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

View in JSmol

Synonyms

Value	Source
(2S,4E)-4-[(2Z)-2-[(1-Carboxyethyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylate	Generator

Chemical Formula

C₁₂H₁₄N₂O₆

Average Mass

282.2520 Da

Monoisotopic Mass

282.08519 Da

IUPAC Name

(2S,4E)-4-[(2Z)-2-[(1-carboxyethyl)imino]ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid

Traditional Name

(2S,4E)-4-[(2Z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

CAS Registry Number

Not Available

SMILES

CC(\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C12H14N2O6/c1-6(10(15)16)13-3-2-7-4-8(11(17)18)14-9(5-7)12(19)20/h2-4,6,9,14H,5H2,1H3,(H,15,16)(H,17,18)(H,19,20)/b7-2-,13-3-/t6?,9-/m0/s1

InChI Key

XZPOAQOHKACLJQ-XUJQLLKGSA-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
Beta vulgaris	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alanine and derivatives. Alanine and derivatives are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alanine and derivatives

Alternative Parents

Substituents

Alanine or derivatives
Alpha-amino acid
L-alpha-amino acid
Tricarboxylic acid or derivatives
Tetrahydropyridine
Hydropyridine
Shiff base
Amino acid
Aldimine
Carboxylic acid
Secondary aliphatic amine
Enamine
Secondary amine
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organoheterocyclic compound
Azacycle
Organonitrogen compound
Imine
Organooxygen compound
Carbonyl group
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organic nitrogen compound
Amine
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	0.79	ALOGPS
logP	-3.4	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	1.62	ChemAxon
pKa (Strongest Basic)	8.75	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	136.29 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	68.31 m³·mol⁻¹	ChemAxon
Polarizability	27.21 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid (NP0265419)

MOL for NP0265419 ((2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D MOL for NP0265419 ((2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D SDF for NP0265419 ((2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D-SDF for NP0265419 ((2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

PDB for NP0265419 ((2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D PDB for NP0265419 ((2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

SMILES for NP0265419 ((2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

INCHI for NP0265419 ((2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

Structure for NP0265419 ((2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)

3D Structure for NP0265419 ((2s,4e)-4-[(2z)-2-[(1-carboxyethyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid)