NP-MRD: Showing NP-Card for 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid (NP0291557)

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Record Information

Version

1.0

Created at

2022-09-09 22:42:03 UTC

Updated at

2022-09-09 22:42:03 UTC

NP-MRD ID

NP0291557

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid

Description

Clitidine, also known as chrytidine, belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Clitidine is a very strong basic compound (based on its pKa). Clitidine is a potentially toxic compound. 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid is found in Clitocybe acromelalga. It was first documented in 2001 (PMID: 11577392). A pyridine nucleoside comprising 4-imino-1,4-dihydro-3-pyridinecarboxylic acid as the nucleobase having the beta-ribofuranosyl moiety attached at position 1.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 33 34  0  0  0  0  0  0  0  0999 V2000
    5.0531   -2.0052   -0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0673   -2.2012   -0.5458 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0520   -1.4987   -0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   -2.1253   -0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6673   -1.4099   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696   -0.1338    0.2878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5148    0.6431    0.5954 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4799   -0.1917    1.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6890    0.1183    0.5377 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3811   -1.2038    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5539   -1.9752    1.3219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4915    0.9529   -0.6791 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3660    2.0594   -0.6154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0559    1.3716   -0.5944 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0195    2.7550   -0.4302 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730    0.4536    0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771   -0.1834    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3210    0.5299    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4484    0.0735    0.0626 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2796    1.8723    0.6798 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8029   -3.1565   -0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3042   -1.9054   -0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2977    1.4053    1.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3027    0.6346    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7337   -1.7713   -0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3885   -0.9927   -0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2188   -2.9099    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7166    0.3681   -1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295    2.1915    0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4964    1.1505   -1.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5267    2.9582    0.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407    1.5009    0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    2.6256    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0
 10 11  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  2  0
  4  3  1  0
  3  2  2  0
  3 17  1  0
 17 16  2  0
 17 18  1  0
 18 20  1  0
 18 19  2  0
  7 14  1  0
 14 15  1  0
 14 12  1  0
 12 13  1  0
 12  9  1  0
 16  6  1  0
  9 24  1  1
 10 25  1  0
 10 26  1  0
 11 27  1  0
  7 23  1  1
  5 22  1  0
  4 21  1  0
  2  1  1  0
 16 32  1  0
 20 33  1  0
 14 30  1  6
 15 31  1  0
 12 28  1  6
 13 29  1  0
M  END


  Mrv0541 08291401072D          

 23 24  0  0  1  0            999 V2000
    1.7044   -3.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032   -0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -2.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -3.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.5465    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7512   -0.0616    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0837   -0.5465    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3387   -1.3312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2721   -2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990   -4.0009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -1.9986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3748    0.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7571   -3.1610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6077   -1.7399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637   -1.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5477    0.2683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    0.3129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004   -1.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132   -2.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  1  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13  2  1  0  0  0  0
 13  3  1  0  0  0  0
 10 13  1  1  0  0  0
 14  4  1  0  0  0  0
  8 15  1  6  0  0  0
  9 16  1  6  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19  7  1  0  0  0  0
 19 10  1  0  0  0  0
  7 20  1  6  0  0  0
  8 21  1  1  0  0  0
  9 22  1  1  0  0  0
 10 23  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0291557

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]1(CO)O[C@@]([H])(N2C=CC(=N)C(=C2)C(O)=O)[C@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C11H14N2O6/c12-6-1-2-13(3-5(6)11(17)18)10-9(16)8(15)7(4-14)19-10/h1-3,7-10,12,14-16H,4H2,(H,17,18)/t7-,8-,9-,10-/m1/s1

> <INCHI_KEY>
FYEBWHCXONMZDU-ZYUZMQFOSA-N

> <FORMULA>
C11H14N2O6

> <MOLECULAR_WEIGHT>
270.2387

> <EXACT_MASS>
270.08518619

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
25.208974620674244

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-1,4-dihydropyridine-3-carboxylic acid

> <ALOGPS_LOGP>
-1.94

> <JCHEM_LOGP>
-4.1718894634751615

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.568655786948778

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.535588728860504

> <JCHEM_PKA_STRONGEST_BASIC>
10.936327181377075

> <JCHEM_POLAR_SURFACE_AREA>
134.31000000000003

> <JCHEM_REFRACTIVITY>
73.157

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.90e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-AUG-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-AUG-14         0                                  
HETATM    1  C   UNK     0       3.182  -6.383   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.087  -5.138   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.929  -3.570   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.846  -0.544   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.024  -4.816   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.650  -6.222   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.381  -1.020   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.136  -0.115   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.890  -1.020   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.366  -2.485   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.508  -4.655   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       0.745  -7.468   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       3.460  -3.731   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0       8.166   0.962   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       5.136   1.425   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       2.425  -0.544   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -1.413  -5.901   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -1.134  -3.248   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.906  -2.485   0.000  0.00  0.00           O+0
HETATM   20  H   UNK     0       6.622   0.501   0.000  0.00  0.00           H+0
HETATM   21  H   UNK     0       3.763   0.584   0.000  0.00  0.00           H+0
HETATM   22  H   UNK     0       2.801  -2.109   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0       5.065  -3.857   0.000  0.00  0.00           H+0
CONECT    1    2    6                                                       
CONECT    2    1   13                                                       
CONECT    3    5   13                                                       
CONECT    4    7   14                                                       
CONECT    5    3    6   11                                                  
CONECT    6    1    5   12                                                  
CONECT    7    4    8   19   20                                             
CONECT    8    7    9   15   21                                             
CONECT    9    8   10   16   22                                             
CONECT   10    9   13   19   23                                             
CONECT   11    5   17   18                                                  
CONECT   12    6                                                            
CONECT   13    2    3   10                                                  
CONECT   14    4                                                            
CONECT   15    8                                                            
CONECT   16    9                                                            
CONECT   17   11                                                            
CONECT   18   11                                                            
CONECT   19    7   10                                                       
CONECT   20    7                                                            
CONECT   21    8                                                            
CONECT   22    9                                                            
CONECT   23   10                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
Chrytidine	ChEBI

Chemical Formula

C₁₁H₁₄N₂O₆

Average Mass

270.2387 Da

Monoisotopic Mass

270.08519 Da

IUPAC Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-1,4-dihydropyridine-3-carboxylic acid

Traditional Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid

CAS Registry Number

Not Available

SMILES

[H][C@]1(CO)O[C@@]([H])(N2C=CC(=N)C(=C2)C(O)=O)[C@]([H])(O)[C@]1([H])O

InChI Identifier

InChI=1S/C11H14N2O6/c12-6-1-2-13(3-5(6)11(17)18)10-9(16)8(15)7(4-14)19-10/h1-3,7-10,12,14-16H,4H2,(H,17,18)/t7-,8-,9-,10-/m1/s1

InChI Key

FYEBWHCXONMZDU-ZYUZMQFOSA-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
Clitocybe acromelalga	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glycosylamines

Alternative Parents

Substituents

N-glycosyl compound
Pentose monosaccharide
Dihydropyridinecarboxylic acid derivative
Pyridine carboxylic acid
Pyridine carboxylic acid or derivatives
Dihydropyridine
Hydropyridine
Monosaccharide
Pyridine
Heteroaromatic compound
Vinylogous amide
Tetrahydrofuran
Secondary alcohol
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Azacycle
Carboxylic acid
Oxacycle
Carboxylic acid derivative
Primary alcohol
Organopnictogen compound
Organonitrogen compound
Organic oxide
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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	-1.9	ALOGPS
logP	-4.2	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	2.54	ChemAxon
pKa (Strongest Basic)	10.94	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	134.31 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	73.16 m³·mol⁻¹	ChemAxon
Polarizability	25.21 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

C19977

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

182378

PDB ID

Not Available

ChEBI ID

133925

Good Scents ID

Not Available

References

General References

Fukuwatari T, Sugimoto E, Shibata K: [Effect of feeding with a poisonous mushroom Clitocybe acromelalga on the metabolism of tryptophan-niacin in rats]. Shokuhin Eiseigaku Zasshi. 2001 Jun;42(3):190-6. doi: 10.3358/shokueishi.42.190. [PubMed:11577392 ]
LOTUS database [Link]

Showing NP-Card for 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid (NP0291557)

MOL for NP0291557 (1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid)

3D MOL for NP0291557 (1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid)

3D SDF for NP0291557 (1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid)

3D-SDF for NP0291557 (1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid)

PDB for NP0291557 (1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid)

3D PDB for NP0291557 (1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid)

SMILES for NP0291557 (1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid)

INCHI for NP0291557 (1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid)

Structure for NP0291557 (1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid)

3D Structure for NP0291557 (1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridine-3-carboxylic acid)