NP-MRD: Showing NP-Card for (2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid (NP0321041)

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Record Information

Version

2.0

Created at

2022-09-11 23:02:19 UTC

Updated at

2022-09-11 23:02:19 UTC

NP-MRD ID

NP0321041

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid

Description

ISODOMOIC ACID C, also known as isodomoate C, belongs to the class of organic compounds known as kainoids. These are non-proteigenous amino acids with a structure characterized by the presence of a pyrrolidine ring bearing two dicarboxylic acid groups. (2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid is found in Chondria armata. (2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid was first documented in 2005 (PMID: 15892574). Based on a literature review a small amount of articles have been published on ISODOMOIC ACID C (PMID: 18977379) (PMID: 15724994).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 43  0  0  0  0  0  0  0  0999 V2000
    0.5504   -1.7297    1.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1651   -0.8665    0.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1055    0.2658    0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5965    0.2103   -0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5269    1.3133   -0.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7729    1.1011   -1.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2344   -0.2958   -1.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    2.2196   -1.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8521    2.0446   -2.0092 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1970    3.5257   -1.4817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -1.0960    0.2691 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7386   -2.3885    0.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8910   -2.4100   -0.1036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3559   -1.0622   -0.2016 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6971   -0.7057   -1.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5658   -1.5476   -2.4923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1664    0.5508   -1.8999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1964   -0.1718    0.3259 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6301    0.3933    1.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6784    1.2144    2.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9280    0.7486    3.2672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5323    2.5884    2.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4821   -1.6290    2.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0849   -2.5774    2.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0359    0.0910    1.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6888    1.2588    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276   -0.7758   -0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7117    0.3382   -1.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1533    2.3330   -0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3502   -0.2959   -1.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8267   -0.7694   -2.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0422   -0.9169   -0.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7614    4.1474   -0.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3490   -0.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511   -2.2383    1.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624   -3.2573    0.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5742   -2.7250   -1.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2191   -0.9370    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8519    1.0553   -1.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0528    0.6238   -0.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709   -0.3759    2.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5175    1.0826    1.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0294    3.0148    1.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0
  6  5  2  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  3
  2 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 22  1  0
 20 21  2  0
 14 15  1  0
 15 17  1  0
 15 16  2  0
  6  8  1  0
  8 10  1  0
  8  9  2  0
 18 11  1  0
  7 30  1  0
  7 31  1  0
  7 32  1  0
  5 29  1  0
  4 27  1  0
  4 28  1  0
  3 25  1  0
  3 26  1  0
  1 23  1  0
  1 24  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 13 37  1  0
 14 38  1  1
 18 40  1  6
 19 41  1  0
 19 42  1  0
 22 43  1  0
 17 39  1  0
 10 33  1  0
M  END


  Mrv1652309122201022D          

 22 22  0  0  1  0            999 V2000
   -0.1467    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7112    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401    3.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    4.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -1.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1501   -0.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3259   -0.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2820    0.5872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  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
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11  2  1  1  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  6  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0321041

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h5,10-11,13,16H,1,3-4,6-7H2,2H3,(H,17,18)(H,19,20)(H,21,22)/b9-5+/t10-,11+,13-/m0/s1

> <INCHI_KEY>
OKFIHTSZDXUGQB-PGPNUJALSA-N

> <FORMULA>
C15H21NO6

> <MOLECULAR_WEIGHT>
311.334

> <EXACT_MASS>
311.1368874

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
31.724231207882287

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S)-4-[(5E)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid

> <JCHEM_LOGP>
-1.517796585033352

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.270086865920417

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6824273807859282

> <JCHEM_PKA_STRONGEST_BASIC>
11.590788695820356

> <JCHEM_POLAR_SURFACE_AREA>
123.93000000000002

> <JCHEM_REFRACTIVITY>
77.7208

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S)-4-[(5E)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic 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      -0.274   4.390   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.393   4.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.393   5.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.727   6.700   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.061   5.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.061   4.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.395   6.700   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.728   5.930   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.395   8.240   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       1.830  -0.290   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.615  -1.536   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.011  -2.943   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -2.147  -1.375   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.186   1.175   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.651   1.651   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.795   0.620   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.475  -0.886   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.260   1.096   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    2   12   18                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   14   11   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Value	Source
ISODOMOate C	Generator

Chemical Formula

C₁₅H₂₁NO₆

Average Mass

311.3340 Da

Monoisotopic Mass

311.13689 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h5,10-11,13,16H,1,3-4,6-7H2,2H3,(H,17,18)(H,19,20)(H,21,22)/b9-5+/t10-,11+,13-/m0/s1

InChI Key

OKFIHTSZDXUGQB-PGPNUJALSA-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
Chondria armata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as kainoids. These are non-proteigenous amino acids with a structure characterized by the presence of a pyrrolidine ring bearing two dicarboxylic acid groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Kainoids

Alternative Parents

Substituents

Kainoid skeleton
Proline or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
Monocyclic monoterpenoid
Monoterpenoid
L-alpha-amino acid
Tricarboxylic acid or derivatives
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine
Amino acid
Secondary amine
Secondary aliphatic amine
Carboxylic acid
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00050913

Chemspider ID

9476355

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11301378

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Munday R, Holland PT, McNabb P, Selwood AI, Rhodes LL: Comparative toxicity to mice of domoic acid and isodomoic acids A, B and C. Toxicon. 2008 Dec 15;52(8):954-6. doi: 10.1016/j.toxicon.2008.10.005. Epub 2008 Oct 17. [PubMed:18977379 ]
Holland PT, Selwood AI, Mountfort DO, Wilkins AL, McNabb P, Rhodes LL, Doucette GJ, Mikulski CM, King KL: Isodomoic acid C, an unusual amnesic shellfish poisoning toxin from Pseudo-nitzschia australis. Chem Res Toxicol. 2005 May;18(5):814-6. doi: 10.1021/tx0496845. [PubMed:15892574 ]
Clayden J, Knowles FE, Baldwin IR: The synthesis of (-)-isodomoic acid C. J Am Chem Soc. 2005 Mar 2;127(8):2412-3. doi: 10.1021/ja042415g. [PubMed:15724994 ]
LOTUS database [Link]

Showing NP-Card for (2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid (NP0321041)

MOL for NP0321041 ((2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid)

3D MOL for NP0321041 ((2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid)

3D SDF for NP0321041 ((2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid)

3D-SDF for NP0321041 ((2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid)

PDB for NP0321041 ((2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid)

3D PDB for NP0321041 ((2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid)

SMILES for NP0321041 ((2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid)

INCHI for NP0321041 ((2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid)

Structure for NP0321041 ((2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid)

3D Structure for NP0321041 ((2s,3s,4s)-4-[(5e)-6-carboxy-6-methylhexa-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid)