NP-MRD: Showing NP-Card for (2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid (NP0300390)

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Record Information

Version

2.0

Created at

2022-09-10 12:46:01 UTC

Updated at

2022-09-10 12:46:01 UTC

NP-MRD ID

NP0300390

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid

Description

(E)-N-(isoferuloyl)-glutamic acid belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. (2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid is found in Anthoceros agrestis. Based on a literature review very few articles have been published on (e)-N-(isoferuloyl)-glutamic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 40  0  0  0  0  0  0  0  0999 V2000
   -7.5020   -0.0732    0.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6623    0.2234   -0.2883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2835    0.1436   -0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5805   -0.2386    0.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2036   -0.2978    0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4523    0.0158   -0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9868   -0.0703   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1879    0.2020   -1.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2534    0.0818   -1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0744    0.3702   -2.1191 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7495   -0.2849    0.0583 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2097   -0.3978    0.1986 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6842    0.5046    1.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1513    0.4423    1.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9349    0.8470    0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576    1.2648   -0.7530 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3456    0.7815    0.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4964   -1.8321    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689   -2.6647    0.6025 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7872   -2.3226    0.5561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1534    0.3964   -1.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5533    0.4576   -1.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2332    0.8459   -2.5136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4613    0.7388    1.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2276   -1.0107    1.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5493   -0.0824    0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1370   -0.4900    1.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6339   -0.6012    1.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927   -0.3826    0.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    0.5128   -2.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028   -0.2836   -2.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6460   -0.0886   -0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    0.2662    2.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3658    1.5405    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4074    1.1193    2.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4948   -0.5608    1.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7436   -0.1159    0.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3063   -2.6163   -0.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281    0.6508   -2.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7180    1.0816   -3.3522 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  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 17  1  0
 15 16  2  0
 12 18  1  0
 18 20  1  0
 18 19  2  0
  6 21  1  0
 21 22  2  0
 22 23  1  0
 22  3  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  0
  7 29  1  0
  8 30  1  0
 10 31  1  0
 12 32  1  6
 13 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 17 37  1  0
 20 38  1  0
 21 39  1  0
 23 40  1  0
M  END


  Mrv1652309102214462D          

 23 23  0  0  1  0            999 V2000
    9.3474   11.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   11.1888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   10.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    9.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474    9.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    9.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099    8.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    8.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724    7.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    6.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    7.6164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    6.9020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8099    6.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    5.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    6.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349    5.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099    9.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   10.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   11.1888    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  4  0  0  0
  9 11  2  0  0  0  0
 12 11  1  6  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  2  0  0  0  0
 15 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0300390

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(\C=C\C(O)=N[C@@H](CCC(O)=O)C(O)=O)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H17NO7/c1-23-12-5-2-9(8-11(12)17)3-6-13(18)16-10(15(21)22)4-7-14(19)20/h2-3,5-6,8,10,17H,4,7H2,1H3,(H,16,18)(H,19,20)(H,21,22)/b6-3+/t10-/m0/s1

> <INCHI_KEY>
CMUANLUVCDUDGB-YVGDHZEHSA-N

> <FORMULA>
C15H17NO7

> <MOLECULAR_WEIGHT>
323.301

> <EXACT_MASS>
323.100501891

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
32.261271788969324

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-2-{[(2E)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid

> <JCHEM_LOGP>
1.6047840973333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.076641672050422

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2395284072881783

> <JCHEM_PKA_STRONGEST_BASIC>
1.2980431494028042

> <JCHEM_POLAR_SURFACE_AREA>
136.65

> <JCHEM_REFRACTIVITY>
80.1135

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(2E)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      17.448  22.219   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      18.218  20.886   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      17.448  19.552   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      18.218  18.218   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.448  16.885   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.908  16.885   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.138  15.551   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.598  15.551   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.828  14.217   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      13.598  12.884   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      11.288  14.217   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      10.518  12.884   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.978  12.884   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.208  11.550   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  11.550   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.898  10.216   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       5.898  12.884   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      11.288  11.550   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      12.828  11.550   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      10.518  10.216   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      15.138  18.218   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.908  19.552   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      15.138  20.886   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   21                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   12   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    6   22                                                       
CONECT   22   21    3   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
(e)-N-(Isoferuloyl)-glutamate	Generator

Chemical Formula

C₁₅H₁₇NO₇

Average Mass

323.3010 Da

Monoisotopic Mass

323.10050 Da

IUPAC Name

(2S)-2-{[(2E)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid

Traditional Name

(2S)-2-{[(2E)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid

CAS Registry Number

Not Available

SMILES

COC1=CC=C(\C=C\C(O)=N[C@@H](CCC(O)=O)C(O)=O)C=C1O

InChI Identifier

InChI=1S/C15H17NO7/c1-23-12-5-2-9(8-11(12)17)3-6-13(18)16-10(15(21)22)4-7-14(19)20/h2-3,5-6,8,10,17H,4,7H2,1H3,(H,16,18)(H,19,20)(H,21,22)/b6-3+/t10-/m0/s1

InChI Key

CMUANLUVCDUDGB-YVGDHZEHSA-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
Anthoceros agrestis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid 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

Glutamic acid and derivatives

Alternative Parents

Substituents

Glutamic acid or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Cinnamic acid or derivatives
Hydroxycinnamic acid or derivatives
Cinnamic acid amide
Methoxyphenol
Phenoxy compound
Anisole
Phenol ether
Styrene
Methoxybenzene
Phenol
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Benzenoid
Secondary carboxylic acid amide
Carboxamide group
Ether
Carboxylic acid
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	1.6	ChemAxon
pKa (Strongest Acidic)	3.24	ChemAxon
pKa (Strongest Basic)	1.3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	136.65 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	80.11 m³·mol⁻¹	ChemAxon
Polarizability	32.26 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

66738612

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101676245

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid (NP0300390)

MOL for NP0300390 ((2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid)

3D MOL for NP0300390 ((2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid)

3D SDF for NP0300390 ((2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid)

3D-SDF for NP0300390 ((2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid)

PDB for NP0300390 ((2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid)

3D PDB for NP0300390 ((2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid)

SMILES for NP0300390 ((2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid)

INCHI for NP0300390 ((2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid)

Structure for NP0300390 ((2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid)

3D Structure for NP0300390 ((2s)-2-{[(2e)-1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-ylidene]amino}pentanedioic acid)