NP-MRD: Showing NP-Card for 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid (NP0245455)

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Record Information

Version

2.0

Created at

2022-09-07 06:32:31 UTC

Updated at

2022-09-07 06:32:31 UTC

NP-MRD ID

NP0245455

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

Description

7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid belongs to the class of organic compounds known as pyrrolopyrimidine nucleosides and nucleotides. These are nucleoside derivatives containing a ribose derivative which is n-glycosylated to a pyrrolopyrimidine. Also called deazapurine nucleosides, they are analogs of purine nucleosides with the N atom of the purine being replaced by a C atom at position 7. 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid is found in Streptomyces hygroscopicus. Based on a literature review very few articles have been published on 7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 39  0  0  0  0  0  0  0  0999 V2000
   -2.5300   -1.0092    4.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2419   -0.6266    3.6950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0112   -0.3223    2.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9791    0.1787    1.6597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7586    0.4971    0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7890    1.0074   -0.3869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4925    0.2962   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9313    0.5020   -1.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512    1.0234   -2.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622    1.1508   -3.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8564    1.4169   -2.6493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5967    0.1016   -1.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3257   -0.3376   -0.0234 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9384   -0.8401    0.4915 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7420    0.1468    0.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9758    0.0798    0.4071 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6323    1.4353    0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7746    1.9996    1.5051 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7914   -0.6093   -0.9288 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9312   -1.3156   -1.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718   -1.5891   -0.5672 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2915   -2.6941    0.0324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4732   -0.2237    0.6687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -0.5155    1.9453 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0339    1.9921   -0.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4844    1.0401   -3.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1064    0.1453   -2.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6866   -1.5282    1.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   -0.5828    1.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9355    2.0736   -0.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5737    1.3376   -0.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    2.9601    1.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807    0.1172   -1.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473   -1.9033   -2.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0702   -1.8654   -1.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2557   -2.6336    1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989   -0.9050    2.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 21  1  0
 21 22  1  0
 21 19  1  0
 19 20  1  0
 14 13  1  0
 13 12  1  0
 12  8  2  0
  8  9  1  0
  9 11  1  0
  9 10  2  0
  8  7  1  0
  7 23  2  0
 23 24  1  0
 24  3  1  0
  3  2  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
 19 16  1  0
 23 13  1  0
  5  7  1  0
 18 32  1  0
 17 30  1  0
 17 31  1  0
 16 29  1  1
 14 28  1  1
 21 35  1  6
 22 36  1  0
 19 33  1  6
 20 34  1  0
 12 27  1  0
 11 26  1  0
 24 37  1  0
  2  1  1  0
  6 25  1  0
M  END


  Mrv1652309072208322D          

 23 25  0  0  1  0            999 V2000
    4.0668    2.3479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -0.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358   -0.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    2.9750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0992    3.2299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992    4.0549    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5683    4.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    4.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    4.3099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1387    5.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687    3.6424    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1937    3.6424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 N   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  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  1  0  0  0
 12 22  1  0  0  0  0
  6 22  2  0  0  0  0
 22 23  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0245455

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(C(O)=O)C2=C1NC(=N)N=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C12H14N4O7/c13-12-14-8-5(9(20)15-12)3(11(21)22)1-16(8)10-7(19)6(18)4(2-17)23-10/h1,4,6-7,10,17-19H,2H2,(H,21,22)(H3,13,14,15,20)/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
LVTNUSALLLYISD-KQYNXXCUSA-N

> <FORMULA>
C12H14N4O7

> <MOLECULAR_WEIGHT>
326.265

> <EXACT_MASS>
326.086248807

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
29.79316664950584

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

> <JCHEM_LOGP>
-1.5397832169999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.108225875637346

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.214444919385816

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8218370770708899

> <JCHEM_POLAR_SURFACE_AREA>
180.61999999999998

> <JCHEM_REFRACTIVITY>
84.63440000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  N   UNK     0       7.591   4.383   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       6.258   2.073   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       4.924  -0.237   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.126   1.597   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.650   0.132   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.143  -0.188   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       2.680  -1.012   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       2.126   4.089   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       1.650   5.553   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.185   6.029   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.185   7.569   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.061   8.474   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.468   7.848   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.650   8.045   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.126   9.510   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.555   6.799   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.095   6.799   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       4.924   4.383   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   23                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   22                                                  
CONECT    7    6    8   11                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    7   12                                                       
CONECT   12   11   13   22                                                  
CONECT   13   12   14   20                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   13   21                                                  
CONECT   21   20                                                            
CONECT   22   12    6   23                                                  
CONECT   23   22    2                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-D]pyrimidine-5-carboxylate	Generator

Chemical Formula

C₁₂H₁₄N₄O₇

Average Mass

326.2650 Da

Monoisotopic Mass

326.08625 Da

IUPAC Name

7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

Traditional Name

7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(C(O)=O)C2=C1NC(=N)N=C2O

InChI Identifier

InChI=1S/C12H14N4O7/c13-12-14-8-5(9(20)15-12)3(11(21)22)1-16(8)10-7(19)6(18)4(2-17)23-10/h1,4,6-7,10,17-19H,2H2,(H,21,22)(H3,13,14,15,20)/t4-,6-,7-,10-/m1/s1

InChI Key

LVTNUSALLLYISD-KQYNXXCUSA-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
Streptomyces hygroscopicus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrrolopyrimidine nucleosides and nucleotides. These are nucleoside derivatives containing a ribose derivative which is n-glycosylated to a pyrrolopyrimidine. Also called deazapurine nucleosides, they are analogs of purine nucleosides with the N atom of the purine being replaced by a C atom at position 7.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrrolopyrimidine nucleosides and nucleotides

Sub Class

Not Available

Direct Parent

Pyrrolopyrimidine nucleosides and nucleotides

Alternative Parents

Substituents

Pyrrolopyrimidine ribonucleoside
Glycosyl compound
N-glycosyl compound
Pentose monosaccharide
Pyrrolo[2,3-d]pyrimidine
Pyrrolopyrimidine
Pyrrole-3-carboxylic acid
Pyrrole-3-carboxylic acid or derivatives
Aminopyrimidine
Pyrimidone
Monosaccharide
Substituted pyrrole
Pyrimidine
Tetrahydrofuran
Heteroaromatic compound
Vinylogous amide
Pyrrole
Amino acid
Secondary alcohol
Amino acid or derivatives
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Oxacycle
Azacycle
Organoheterocyclic compound
Organonitrogen compound
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Amine
Organooxygen compound
Organic oxygen compound
Primary alcohol
Primary amine
Alcohol
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	-1.5	ChemAxon
pKa (Strongest Acidic)	4.21	ChemAxon
pKa (Strongest Basic)	-0.82	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	180.62 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	84.63 m³·mol⁻¹	ChemAxon
Polarizability	29.79 Å³	ChemAxon
Number of Rings	3	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

117959

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

133738

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid (NP0245455)

MOL for NP0245455 (7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid)

3D MOL for NP0245455 (7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid)

3D SDF for NP0245455 (7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid)

3D-SDF for NP0245455 (7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid)

PDB for NP0245455 (7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid)

3D PDB for NP0245455 (7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid)

SMILES for NP0245455 (7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid)

INCHI for NP0245455 (7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid)

Structure for NP0245455 (7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid)

3D Structure for NP0245455 (7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid)