NP-MRD: Showing NP-Card for 6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate (NP0226427)

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Record Information

Version

2.0

Created at

2022-09-06 05:27:57 UTC

Updated at

2022-09-06 05:27:57 UTC

NP-MRD ID

NP0226427

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate

Description

Gonyautoxin VI, also known as gonyautoxin-vi, belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. Saxitoxins, gonyautoxins, and derivatives are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton. Based on a literature review very few articles have been published on Gonyautoxin VI.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062207272D          

 26 28  0  0  0  0            999 V2000
   -0.1712   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    2.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.6021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    3.4271    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    4.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8918    3.4271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2418    3.4271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -2.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458   -2.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3102   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5958   -2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253   -0.9950    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   -1.3654    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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
  8 10  2  0  0  0  0
 10 11  1  4  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  4 25  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
  2 26  1  0  0  0  0
M  CHG  2  15   1  16  -1
M  END


  Mrv1652309062207272D          

 26 28  0  0  0  0            999 V2000
   -0.1712   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    2.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.6021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    3.4271    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    4.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8918    3.4271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2418    3.4271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0668    0.1271    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4663   -2.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458   -2.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3102   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5958   -2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253   -0.9950    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   -1.3654    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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
  8 10  2  0  0  0  0
 10 11  1  4  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  4 25  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
  2 26  1  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
> <DATABASE_ID>
NP0226427

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC1=[N+]([O-])C(COC(O)=NS(O)(=O)=O)C2NC(=N)NC22N1CCC2(O)O

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,19-20H,1-3,12H2,(H,15,18)(H3,11,13,14)(H,22,23,24)

> <INCHI_KEY>
FFRYHKXJXUMSOJ-UHFFFAOYSA-N

> <FORMULA>
C10H17N7O8S

> <MOLECULAR_WEIGHT>
395.35

> <EXACT_MASS>
395.085931709

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
34.53293361018234

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-C-hydroxycarbonimidoyl)oxy]methyl}-1H,2H,3H,4H,8H,9H,10H,10bH-pyrrolo[1,2-c]purin-5-ium-5-olate

> <JCHEM_LOGP>
-6.205299247552489

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
1.1160058984982038

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.9417314540558932

> <JCHEM_PKA_STRONGEST_BASIC>
8.06457466451304

> <JCHEM_POLAR_SURFACE_AREA>
239.89

> <JCHEM_REFRACTIVITY>
92.5835

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-C-hydroxycarbonimidoyl)oxy]methyl}-1H,3H,4H,8H,9H,10bH-pyrrolo[1,2-c]purin-5-ium-5-olate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  N   UNK     0      -0.320  -1.303   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       2.126  -0.057   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.924   1.777   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.258   2.547   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.258   4.087   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.924   4.857   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       7.591   4.857   0.000  0.00  0.00           N+0
HETATM   11  S   UNK     0       7.591   6.397   0.000  0.00  0.00           S+0
HETATM   12  O   UNK     0       7.591   7.937   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       9.131   6.397   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       6.051   6.397   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       6.258  -0.533   0.000  0.00  0.00           N+1
HETATM   16  O   UNK     0       7.591   0.237   0.000  0.00  0.00           O-1
HETATM   17  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       7.591  -2.843   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       4.924  -2.843   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       4.604  -4.349   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.072  -4.510   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.446  -3.103   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.112  -3.873   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.541  -1.857   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0       2.126  -2.549   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   26                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   25                                                  
CONECT    5    4    6   15                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
CONECT   15    5   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22    4   19   26                                             
CONECT   26   25    2                                                       
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END

View in JSmol

Synonyms

Value	Source
Gonyautoxin-VI	MeSH

Chemical Formula

C₁₀H₁₇N₇O₈S

Average Mass

395.3500 Da

Monoisotopic Mass

395.08593 Da

IUPAC Name

6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-C-hydroxycarbonimidoyl)oxy]methyl}-1H,2H,3H,4H,8H,9H,10H,10bH-pyrrolo[1,2-c]purin-5-ium-5-olate

Traditional Name

6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-C-hydroxycarbonimidoyl)oxy]methyl}-1H,3H,4H,8H,9H,10bH-pyrrolo[1,2-c]purin-5-ium-5-olate

CAS Registry Number

Not Available

SMILES

NC1=[N+]([O-])C(COC(O)=NS(O)(=O)=O)C2NC(=N)NC22N1CCC2(O)O

InChI Identifier

InChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,19-20H,1-3,12H2,(H,15,18)(H3,11,13,14)(H,22,23,24)

InChI Key

FFRYHKXJXUMSOJ-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 saxitoxins, gonyautoxins, and derivatives. Saxitoxins, gonyautoxins, and derivatives are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Saxitoxins, gonyautoxins, and derivatives

Sub Class

Not Available

Direct Parent

Saxitoxins, gonyautoxins, and derivatives

Alternative Parents

Substituents

Saxitoxin-gonyautoxin skeleton
Alkaloid or derivatives
Imidazopyrimidine
1,4,5,6-tetrahydropyrimidine
Hydropyrimidine
Pyrrolidine
Organic sulfuric acid or derivatives
2-imidazoline
Carbonic acid derivative
Nitrone
Guanidine
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Allyl-type 1,3-dipolar organic compound
Carboximidamide
Carbonyl hydrate
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organic zwitterion
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	-6.2	ChemAxon
pKa (Strongest Acidic)	-1.9	ChemAxon
pKa (Strongest Basic)	8.06	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	239.89 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	92.58 m³·mol⁻¹	ChemAxon
Polarizability	34.53 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	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

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

137185911

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate (NP0226427)

MOL for NP0226427 (6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate)

3D MOL for NP0226427 (6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate)

3D SDF for NP0226427 (6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate)

3D-SDF for NP0226427 (6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate)

PDB for NP0226427 (6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate)

3D PDB for NP0226427 (6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate)

SMILES for NP0226427 (6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate)

INCHI for NP0226427 (6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate)

Structure for NP0226427 (6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate)

3D Structure for NP0226427 (6-amino-10,10-dihydroxy-2-imino-4-{[(sulfo-c-hydroxycarbonimidoyl)oxy]methyl}-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate)