NP-MRD: Showing NP-Card for 2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid (NP0306786)

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Record Information

Version

2.0

Created at

2022-09-10 23:29:28 UTC

Updated at

2022-09-10 23:29:28 UTC

NP-MRD ID

NP0306786

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid

Description

Discadenine belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). 2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid is found in Dictyostelium discoideum. 2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid was first documented in 2008 (PMID: 18216168). Based on a literature review a small amount of articles have been published on Discadenine (PMID: 31694277) (PMID: 28665127) (PMID: 23494301).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
   -5.5634    0.7757   -0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3440   -0.6624   -0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4510   -1.5441   -0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1461   -1.1889   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9862   -0.3655    0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9559   -0.4315   -0.6490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739    0.0198   -0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0395   -0.1571   -1.6352 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3087    0.2802   -1.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8444    0.9336   -0.6088 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1643    1.4602   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1882    0.5740    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3257   -0.7442   -0.6274 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0976   -1.4576   -0.5824 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4670   -1.5064   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3321   -2.6489    0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7060   -0.9126   -0.0455 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0582    1.1366    0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3060    1.7422    1.6658 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820    1.6654    2.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7530    1.0147    1.6712 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2262    0.6804    0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2242    1.1114    0.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6566    1.0177   -0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0749    1.4303   -0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6166   -2.2824    0.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1030   -2.1418   -1.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3773   -0.9752   -0.9431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9488   -2.2481   -0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6967   -0.7321    1.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2919    0.6875    0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9472    0.1364   -2.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1557    2.4476   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5170    1.7766   -1.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8681    0.3181    1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1850    1.0902    0.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6026   -0.5739   -1.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8590   -1.8658    0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9413   -2.1016   -1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777    0.0065   -0.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1961    2.1879    1.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0205    2.0468    3.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 17  1  0
 15 16  2  0
 10 18  1  0
 18 22  2  0
 22 21  1  0
 21 20  2  0
 20 19  1  0
 22  7  1  0
 19 18  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  9 32  1  0
 11 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  6
 14 38  1  0
 14 39  1  0
 17 40  1  0
 20 42  1  0
 19 41  1  0
M  END


  Mrv1652309112201292D          

 22 23  0  0  0  0            999 V2000
   -4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -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 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6131    1.0980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2775    0.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5429    0.4305    0.0000 N   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  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 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
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
  7 22  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0306786

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCN=C1N=CN(CCC(N)C(O)=O)C2=C1N=CN2

> <INCHI_IDENTIFIER>
InChI=1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10H,4-6,15H2,1-2H3,(H,17,18)(H,21,22)

> <INCHI_KEY>
VSABNZFZVFUZGA-UHFFFAOYSA-N

> <FORMULA>
C14H20N6O2

> <MOLECULAR_WEIGHT>
304.354

> <EXACT_MASS>
304.164773908

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
32.96199879803994

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-6,9-dihydro-3H-purin-3-yl}butanoic acid

> <JCHEM_LOGP>
-2.697065533218645

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.428162603067662

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2760031785561852

> <JCHEM_PKA_STRONGEST_BASIC>
8.885134798367298

> <JCHEM_POLAR_SURFACE_AREA>
119.96

> <JCHEM_REFRACTIVITY>
83.454

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9H-purin-3-yl}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      -8.002  -0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668   0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001   0.770   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -4.001   2.310   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -2.667   3.080   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -2.667   4.620   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       0.000   4.620   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       1.334   5.390   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001   5.390   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       4.001   6.930   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.668   5.390   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       5.335   3.080   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.000   3.080   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       1.144   2.050   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       0.518   0.643   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      -1.013   0.804   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   22                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   18                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   10   19   22                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21    7   18                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
3-(3-Amino-3-carboxypropyl)-N(6)-delta(2)-isopentenyl-adenine	MeSH

Chemical Formula

C₁₄H₂₀N₆O₂

Average Mass

304.3540 Da

Monoisotopic Mass

304.16477 Da

IUPAC Name

2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-6,9-dihydro-3H-purin-3-yl}butanoic acid

Traditional Name

2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9H-purin-3-yl}butanoic acid

CAS Registry Number

Not Available

SMILES

CC(C)=CCN=C1N=CN(CCC(N)C(O)=O)C2=C1N=CN2

InChI Identifier

InChI=1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10H,4-6,15H2,1-2H3,(H,17,18)(H,21,22)

InChI Key

VSABNZFZVFUZGA-UHFFFAOYSA-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
Dictyostelium discoideum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids

Alternative Parents

Substituents

Alpha-amino acid
Purine
Imidazopyrimidine
Pyrimidine
Heteroaromatic compound
Imidazole
Azole
Amino acid
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	-2.7	ChemAxon
pKa (Strongest Acidic)	1.28	ChemAxon
pKa (Strongest Basic)	8.89	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	119.96 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	83.45 m³·mol⁻¹	ChemAxon
Polarizability	32.96 Å³	ChemAxon
Number of Rings	2	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

135398674

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Aoki MM, Kisiala AB, Li S, Stock NL, Brunetti CR, Huber RJ, Emery RJN: Cytokinin Detection during the Dictyostelium discoideum Life Cycle: Profiles Are Dynamic and Affect Cell Growth and Spore Germination. Biomolecules. 2019 Nov 5;9(11):702. doi: 10.3390/biom9110702. [PubMed:31694277 ]
Mik V, Mickova Z, Dolezal K, Frebort I, Pospisil T: Activity of (+)-Discadenine as a Plant Cytokinin. J Nat Prod. 2017 Jul 28;80(7):2136-2140. doi: 10.1021/acs.jnatprod.6b01165. Epub 2017 Jun 30. [PubMed:28665127 ]
Loomis WF: Comparative genomics of the dictyostelids. Methods Mol Biol. 2013;983:39-58. doi: 10.1007/978-1-62703-302-2_3. [PubMed:23494301 ]
Anjard C, Loomis WF: Cytokinins induce sporulation in Dictyostelium. Development. 2008 Mar;135(5):819-27. doi: 10.1242/dev.018051. Epub 2008 Jan 23. [PubMed:18216168 ]
LOTUS database [Link]

Showing NP-Card for 2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid (NP0306786)

MOL for NP0306786 (2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid)

3D MOL for NP0306786 (2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid)

3D SDF for NP0306786 (2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid)

3D-SDF for NP0306786 (2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid)

PDB for NP0306786 (2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid)

3D PDB for NP0306786 (2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid)

SMILES for NP0306786 (2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid)

INCHI for NP0306786 (2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid)

Structure for NP0306786 (2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid)

3D Structure for NP0306786 (2-amino-4-{6-[(3-methylbut-2-en-1-yl)imino]-9h-purin-3-yl}butanoic acid)