NP-MRD: Showing NP-Card for (2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid (NP0330014)

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Record Information

Version

2.0

Created at

2022-09-12 14:58:33 UTC

Updated at

2022-09-12 14:58:34 UTC

NP-MRD ID

NP0330014

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid

Description

SPARSOMYCIN belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. (2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid is found in Streptomyces cuspidosporus. (2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid was first documented in 2015 (PMID: 26046698). Based on a literature review a small amount of articles have been published on SPARSOMYCIN (PMID: 29111481) (PMID: 35625323) (PMID: 35335918).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 42  0  0  0  0  0  0  0  0999 V2000
    7.3062    0.2230   -0.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7961   -1.4983   -0.5015 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0442   -1.7310   -0.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0738   -0.8119    0.1864 S   0  0  0  0  0  3  0  0  0  0  0  0
    4.5310    0.8162    0.0435 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.3305   -0.9886   -0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -0.1533    0.9163 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9105   -0.6681    2.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4354   -1.9609    2.4122 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1501   -0.1312    0.6839 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6417   -1.0915    0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2089   -2.4111    0.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0953   -0.8693    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6101    0.3329    0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9851    0.7300    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2513    2.1146    0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1289    3.0639    0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5114    2.5431   -0.0578 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5294    1.7000   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8293    2.1750   -0.4630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2639    0.3905   -0.3333 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0176   -0.1348   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8032   -1.4896   -0.2269 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4124    0.2457   -0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9670    0.6184   -1.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9505    0.8971    0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -1.2988   -1.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.8029   -0.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1227   -0.5323   -1.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049   -2.0251   -0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8932    0.9220    0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5495   -0.0182    3.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329   -0.6800    2.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9189   -2.5041    3.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2536   -2.8475   -0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7272   -1.7081    0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8537    1.1264    0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5858    2.8434    1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4619    4.0964    0.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3848    2.8686   -0.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2458    2.7339    0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3569   -2.0844    0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 22 15  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
  3 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  1
  8 32  1  0
  8 33  1  0
  9 34  1  0
 12 35  1  0
 13 36  1  0
 14 37  1  0
 17 38  1  0
 17 39  1  0
 17 40  1  0
 20 41  1  0
 23 42  1  0
M  CHG  2   4   1   5  -1
M  END


  Mrv1652309122216582D          

 23 23  0  0  0  0            999 V2000
   -1.9520   -6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -6.0770    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -5.3625    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    0.5230   -6.0770    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5230   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -6.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -3.9336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -4.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -3.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -2.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -0.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    0.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -1.0757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230   -1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -2.5046    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  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  1  0  0  0  0
 10  7  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  CHG  2   4   1   5  -1
M  END
> <DATABASE_ID>
NP0330014

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CSC[S+]([O-])CC(CO)N=C(O)\C=C\C1=C(C)N=C(O)N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+

> <INCHI_KEY>
XKLZIVIOZDNKEQ-ONEGZZNKSA-N

> <FORMULA>
C13H19N3O5S2

> <MOLECULAR_WEIGHT>
361.43

> <EXACT_MASS>
361.076613072

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
36.178948298834044

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-N-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid

> <JCHEM_LOGP>
0.0384611410000002

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.20321468413825

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.345897580459575

> <JCHEM_PKA_STRONGEST_BASIC>
2.914330280167115

> <JCHEM_POLAR_SURFACE_AREA>
136.13

> <JCHEM_REFRACTIVITY>
92.6179

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-N-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic 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      -3.644 -11.344   0.000  0.00  0.00           C+0
HETATM    2  S   UNK     0      -2.104 -11.344   0.000  0.00  0.00           S+0
HETATM    3  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM    4  S   UNK     0       0.206 -10.010   0.000  0.00  0.00           S+1
HETATM    5  O   UNK     0       0.976 -11.344   0.000  0.00  0.00           O-1
HETATM    6  C   UNK     0       0.976  -8.676   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.516  -8.676   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.286 -10.010   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.516 -11.344   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       3.286  -7.343   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       4.826  -7.343   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.596  -8.676   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       5.596  -6.009   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.826  -4.675   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.596  -3.342   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.826  -2.008   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.286  -2.008   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       5.596  -0.674   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       7.136  -0.674   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       7.906   0.659   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0       7.906  -2.008   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       7.136  -3.342   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       7.906  -4.675   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   22                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   15   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₃H₁₉N₃O₅S₂

Average Mass

361.4300 Da

Monoisotopic Mass

361.07661 Da

IUPAC Name

(2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-N-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid

Traditional Name

(2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-N-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid

CAS Registry Number

Not Available

SMILES

CSC[S+]([O-])CC(CO)N=C(O)\C=C\C1=C(C)N=C(O)N=C1O

InChI Identifier

InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+

InChI Key

XKLZIVIOZDNKEQ-ONEGZZNKSA-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 cuspidosporus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazines

Sub Class

Pyrimidines and pyrimidine derivatives

Direct Parent

Pyrimidones

Alternative Parents

Substituents

Pyrimidone
Hydropyrimidine
Vinylogous amide
Heteroaromatic compound
Carboxamide group
Lactam
Secondary carboxylic acid amide
Sulfoxide
Urea
Sulfenyl compound
Sulfinyl compound
Carboxylic acid derivative
Thioether
Azacycle
Dialkylthioether
Hydrocarbon derivative
Organic oxygen compound
Primary alcohol
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Carbonyl group
Organopnictogen compound
Alcohol
Organic oxide
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	0.038	ChemAxon
pKa (Strongest Acidic)	5.35	ChemAxon
pKa (Strongest Basic)	2.91	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	136.13 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	92.62 m³·mol⁻¹	ChemAxon
Polarizability	36.18 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

C00000748

Chemspider ID

4516413

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5364216

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhang H, Zhou Q, Lou T, Wang S, Ruan H: Draft genome sequence of broad-spectrum antibiotic sparsomycin-producing Streptomyces sparsogenes ATCC 25498 from the American Type Culture Collection. J Glob Antimicrob Resist. 2017 Dec;11:159-160. doi: 10.1016/j.jgar.2017.10.011. Epub 2017 Oct 27. [PubMed:29111481 ]
Rui Z, Huang W, Xu F, Han M, Liu X, Lin S, Zhang W: Sparsomycin Biosynthesis Highlights Unusual Module Architecture and Processing Mechanism in Non-ribosomal Peptide Synthetase. ACS Chem Biol. 2015 Aug 21;10(8):1765-9. doi: 10.1021/acschembio.5b00284. Epub 2015 Jun 9. [PubMed:26046698 ]
Khan K, Basharat Z, Jalal K, Mashraqi MM, Alzamami A, Alshamrani S, Uddin R: Identification of Therapeutic Targets in an Emerging Gastrointestinal Pathogen Campylobacter ureolyticus and Possible Intervention through Natural Products. Antibiotics (Basel). 2022 May 18;11(5). pii: antibiotics11050680. doi: 10.3390/antibiotics11050680. [PubMed:35625323 ]
Ariefta NR, Pagmadulam B, Nihei CI, Nishikawa Y: Sparsomycin Exhibits Potent Antiplasmodial Activity In Vitro and In Vivo. Pharmaceutics. 2022 Feb 28;14(3). pii: pharmaceutics14030544. doi: 10.3390/pharmaceutics14030544. [PubMed:35335918 ]
LOTUS database [Link]

Showing NP-Card for (2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid (NP0330014)

MOL for NP0330014 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid)

3D MOL for NP0330014 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid)

3D SDF for NP0330014 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid)

3D-SDF for NP0330014 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid)

PDB for NP0330014 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid)

3D PDB for NP0330014 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid)

SMILES for NP0330014 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid)

INCHI for NP0330014 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid)

Structure for NP0330014 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid)

3D Structure for NP0330014 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]prop-2-enimidic acid)