NP-MRD: Showing NP-Card for 5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid (NP0198239)

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Record Information

Version

2.0

Created at

2022-09-04 16:39:25 UTC

Updated at

2022-09-04 16:39:25 UTC

NP-MRD ID

NP0198239

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid

Description

5-Amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazole-4-carboxylic acid belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. 5-Amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazole-4-carboxylic acid is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.0879   -1.2268    0.8942 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9109    0.0406    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9891    0.8809   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3966    0.6214    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7697   -0.4442    0.7273 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3287    1.5625   -0.1683 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4056    1.9703   -0.5753 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0717    1.7935   -0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    0.5955   -0.0551 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4428    0.1031    0.0777 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1187   -0.2788   -1.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2704   -0.9687   -0.8521 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5109   -0.1056   -0.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6513   -0.8388   -0.6712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0462    0.0729   -0.7847 P   0  0  0  0  0  5  0  0  0  0  0  0
   -6.2052   -0.6864   -0.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4415    0.4541   -2.3818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8720    1.5002    0.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1738   -1.4973    0.5612 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0317   -0.8623    1.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2834   -1.1300    0.8962 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3899   -0.8664    2.2708 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2507   -2.1118    0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0696   -1.3670    1.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1704    1.6394    0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032    2.5503   -0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2794    0.8625    0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4371   -1.8369   -1.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4150    0.7422   -0.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5528    0.3449   -1.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6480    0.5014   -2.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7694    1.8588    0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3385   -2.5824    0.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8285    0.0876    1.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8681   -1.9941    0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9893   -0.0719    2.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 17  1  0
 15 18  1  0
 15 16  2  0
 12 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  3  4  1  0
  4  6  1  0
  4  5  2  0
  9  2  1  0
 21 10  1  0
  1 23  1  0
  1 24  1  0
  8 26  1  0
 10 27  1  1
 12 28  1  6
 13 29  1  0
 13 30  1  0
 17 31  1  0
 18 32  1  0
 19 33  1  6
 20 34  1  0
 21 35  1  6
 22 36  1  0
  6 25  1  0
M  END


  Mrv1652305171805132D          

 22 23  0  0  0  0            999 V2000
    1.2564   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564   -0.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    0.2323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    1.0573    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    1.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.4901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6689   -2.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538   -2.9422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9788   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2338   -3.7268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663   -4.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663   -5.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2808   -5.4492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989   -3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143   -3.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8439   -2.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590   -2.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5890   -1.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1956   -1.2352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    1.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3670    1.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8519   -5.4492    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  1  0  0  0  0
  4  5  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18  1  1  0  0  0  0
 14  8  1  0  0  0  0
 20  4  1  0  0  0  0
 21  4  1  0  0  0  0
 22 12  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0198239

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC1=C(N=CN1C1OC(COP(O)(O)=O)C(O)C1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)

> <INCHI_KEY>
XFVULMDJZXYMSG-UHFFFAOYSA-N

> <FORMULA>
C9H14N3O9P

> <MOLECULAR_WEIGHT>
339.197

> <EXACT_MASS>
339.046766041

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
28.185251197795868

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazole-4-carboxylic acid

> <ALOGPS_LOGP>
-2.05

> <JCHEM_LOGP>
-3.7317525536992675

> <ALOGPS_LOGS>
-2.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.2589051003801788

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1825891616118556

> <JCHEM_PKA_STRONGEST_BASIC>
7.112770228283476

> <JCHEM_POLAR_SURFACE_AREA>
197.58999999999997

> <JCHEM_REFRACTIVITY>
67.31989999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.81e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-MAY-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-MAY-18         0                                  
HETATM    1  C   UNK     0       2.345  -1.876   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.345  -0.336   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.012   0.434   0.000  0.00  0.00           O+0
HETATM    4  P   UNK     0       1.012   1.974   0.000  0.00  0.00           P+0
HETATM    5  O   UNK     0       1.012   3.514   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       3.591  -2.782   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       3.115  -4.246   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       4.021  -5.492   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       5.561  -5.492   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       6.036  -6.957   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       4.791  -7.862   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.791  -9.402   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.124 -10.172   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.545  -6.957   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       2.080  -7.433   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       1.575  -4.246   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.670  -5.492   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.099  -2.782   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.365  -2.306   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -0.528   1.974   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       2.552   1.974   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       3.457 -10.172   0.000  0.00  0.00           O+0
CONECT    1    2    6   18                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   20   21                                             
CONECT    5    4                                                            
CONECT    6    1    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13   22                                                  
CONECT   13   12                                                            
CONECT   14   11   15    8                                                  
CONECT   15   14                                                            
CONECT   16    7   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19    1                                                  
CONECT   19   18                                                            
CONECT   20    4                                                            
CONECT   21    4                                                            
CONECT   22   12                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
5-Amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazole-4-carboxylate	Generator
4-Carboxy-5-aminoimidazole ribotide	HMDB
5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide	HMDB
5-Amino-1-beta-D-ribofuranosylimidazole-4-carboxamide monophosphate	HMDB
5-Amino-4-imidazolecarboxamide ribofuranoside 5'-monophosphate	HMDB
AICA Ribonucleotide	HMDB
AICA Ribonucleotide, (D-ribofuranosyl)-isomer	HMDB
AICAR	HMDB
AICAriboside 5'-monophosphate	HMDB
Aminoimidazole carboxamide ribonucleotide	HMDB
Z-Nucleotide	HMDB
ZMP	HMDB

Chemical Formula

C₉H₁₄N₃O₉P

Average Mass

339.1970 Da

Monoisotopic Mass

339.04677 Da

IUPAC Name

5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazole-4-carboxylic acid

Traditional Name

5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid

CAS Registry Number

Not Available

SMILES

NC1=C(N=CN1C1OC(COP(O)(O)=O)C(O)C1O)C(O)=O

InChI Identifier

InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)

InChI Key

XFVULMDJZXYMSG-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

Pentose phosphate
Pentose-5-phosphate
Imidazole ribonucleoside
N-glycosyl compound
Glycosyl compound
Monosaccharide phosphate
Monoalkyl phosphate
Imidazole-4-carbonyl group
Alkyl phosphate
Phosphoric acid ester
Aminoimidazole
Organic phosphoric acid derivative
N-substituted imidazole
Azole
Vinylogous amide
Tetrahydrofuran
Imidazole
Heteroaromatic compound
1,2-diol
Secondary alcohol
Amino acid
Amino acid or derivatives
Oxacycle
Carboxylic acid derivative
Carboxylic acid
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Amine
Organopnictogen compound
Organic oxide
Primary amine
Organonitrogen compound
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	-2	ALOGPS
logP	-3.7	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.18	ChemAxon
pKa (Strongest Basic)	7.11	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	197.59 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	67.32 m³·mol⁻¹	ChemAxon
Polarizability	28.19 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0062424

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

1010

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid (NP0198239)

MOL for NP0198239 (5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid)

3D MOL for NP0198239 (5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid)

3D SDF for NP0198239 (5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid)

3D-SDF for NP0198239 (5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid)

PDB for NP0198239 (5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid)

3D PDB for NP0198239 (5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid)

SMILES for NP0198239 (5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid)

INCHI for NP0198239 (5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid)

Structure for NP0198239 (5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid)

3D Structure for NP0198239 (5-amino-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazole-4-carboxylic acid)