NP-MRD: Showing NP-Card for 10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid (NP0205483)

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Record Information

Version

2.0

Created at

2022-09-05 01:24:27 UTC

Updated at

2022-09-05 01:24:27 UTC

NP-MRD ID

NP0205483

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid

Description

10,11,12,13-Tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]Tridecane-2-carboxylic acid belongs to the class of organic compounds known as 1,3-diazepines. These are organic compounds containing 1,3-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 3. 10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid is found in Takifugu poecilonotus. Based on a literature review very few articles have been published on 10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]Tridecane-2-carboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 43  0  0  0  0  0  0  0  0999 V2000
   -5.9280   -2.1824    0.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4850   -1.4175   -0.1218 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2573   -1.4722   -0.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3448   -2.5537   -0.4303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2971   -2.3765   -1.4165 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9243   -2.1587   -0.8582 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7770   -2.2919    0.6362 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8161   -1.6886    1.3051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5607   -1.6348    0.9207 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4802   -2.1111   -0.0029 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   -2.0286    2.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0943   -3.4344    2.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3714   -0.1609    0.8211 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6271    0.4005    0.5295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6827    0.2617   -0.1787 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7062    0.8391    0.5629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0514   -0.7069   -1.1762 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6457   -0.4514   -2.6111 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0036    0.8400   -2.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6515    1.7499   -3.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    1.0982   -2.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9516   -0.5771   -3.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3294   -0.9088   -1.7878 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5596   -0.4634   -1.2869 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4459   -3.3203    0.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3341   -3.0432   -2.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488   -2.7003   -1.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381   -3.3509    0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6056   -1.4477    2.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1411   -1.4228   -0.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138   -1.7072    3.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0326   -1.6554    2.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -3.8067    2.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1458    0.2023    1.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838    1.4024    0.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301    1.1539   -0.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3101    1.4018    0.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0198   -1.2725   -3.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1053    0.5931   -2.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9582    0.5008   -1.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0
 11  9  1  0
  9 10  1  6
  9  7  1  0
  7  8  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  2  0
  3 24  1  0
 24 23  1  0
 23 22  1  6
 22 18  1  0
 18 19  1  0
 19 21  1  0
 19 20  2  0
 18 17  1  0
 17 15  1  0
 15 16  1  0
 15 13  1  0
 13 14  1  0
 13  9  1  0
 17  6  1  0
 23  5  1  0
 17 23  1  6
 12 33  1  0
 11 31  1  0
 11 32  1  0
 10 30  1  0
  7 28  1  6
  8 29  1  0
  6 27  1  6
  5 26  1  6
  4 25  1  0
  2  1  1  0
 24 40  1  0
 18 38  1  6
 21 39  1  0
 15 36  1  6
 16 37  1  0
 13 34  1  1
 14 35  1  0
M  END


  Mrv1652309052203242D          

 23 26  0  0  0  0            999 V2000
   -0.1340    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0269    0.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4966    1.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3091    1.7435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2145   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9289   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7549   -1.1971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3689   -1.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554   -2.2053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927   -1.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -0.2549    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
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 22  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0205483

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1(O)C(O)C2C3NC(=N)NC33OC(C(O)=O)C23C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H17N3O8/c13-9-14-3-2-4(17)10(22,1-16)5(18)6(19)11(2)7(8(20)21)23-12(3,11)15-9/h2-7,16-19,22H,1H2,(H,20,21)(H3,13,14,15)

> <INCHI_KEY>
CFAHVSCLJMZFOO-UHFFFAOYSA-N

> <FORMULA>
C12H17N3O8

> <MOLECULAR_WEIGHT>
331.281

> <EXACT_MASS>
331.101564519

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
29.86442573194938

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0^{1,4}.0^{4,8}]tridecane-2-carboxylic acid

> <JCHEM_LOGP>
-6.238591504513596

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.038148258607036

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.008019622084307

> <JCHEM_PKA_STRONGEST_BASIC>
10.836139915810266

> <JCHEM_POLAR_SURFACE_AREA>
195.58999999999997

> <JCHEM_REFRACTIVITY>
78.3064

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0^{1,4}.0^{4,8}]tridecane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  N   UNK     0      -0.250   0.770   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       1.290   0.770   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       2.195   2.016   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       3.660   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.200   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.533   2.310   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.533   3.850   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       7.867   1.540   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       9.384   1.273   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.394   2.987   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.910   3.255   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.867  -0.000   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       9.201  -0.770   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.533  -0.770   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       7.009  -2.235   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.200   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.200  -1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.289  -2.629   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.890  -4.116   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       7.826  -2.710   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       3.660  -1.540   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.660   0.000   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       2.195  -0.476   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   23                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   22                                                  
CONECT    5    4    6   16                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10   12                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10                                                            
CONECT   12    8   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    5   17   22                                             
CONECT   17   16   18   21                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   17   22                                                       
CONECT   22   21    4   16   23                                             
CONECT   23   22    2                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Value	Source
10,11,12,13-Tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0,.0,]tridecane-2-carboxylate	Generator

Chemical Formula

C₁₂H₁₇N₃O₈

Average Mass

331.2810 Da

Monoisotopic Mass

331.10156 Da

IUPAC Name

10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0^{1,4}.0^{4,8}]tridecane-2-carboxylic acid

Traditional Name

10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0^{1,4}.0^{4,8}]tridecane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

OCC1(O)C(O)C2C3NC(=N)NC33OC(C(O)=O)C23C(O)C1O

InChI Identifier

InChI=1S/C12H17N3O8/c13-9-14-3-2-4(17)10(22,1-16)5(18)6(19)11(2)7(8(20)21)23-12(3,11)15-9/h2-7,16-19,22H,1H2,(H,20,21)(H3,13,14,15)

InChI Key

CFAHVSCLJMZFOO-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

Species Name	Source	Reference
Takifugu poecilonotus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,3-diazepines. These are organic compounds containing 1,3-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 3.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazepines

Sub Class

1,3-diazepines

Direct Parent

1,3-diazepines

Alternative Parents

Substituents

Meta-diazepine
Pyran
Oxane
Cyclitol or derivatives
Tertiary alcohol
2-imidazoline
Cyclic alcohol
Secondary alcohol
Oxetane
Guanidine
Oxacycle
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Carbonyl group
Alcohol
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)	3.01	ChemAxon
pKa (Strongest Basic)	10.84	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	195.59 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	78.31 m³·mol⁻¹	ChemAxon
Polarizability	29.86 Å³	ChemAxon
Number of Rings	4	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

4479516

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5321895

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid (NP0205483)

MOL for NP0205483 (10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid)

3D MOL for NP0205483 (10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid)

3D SDF for NP0205483 (10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid)

3D-SDF for NP0205483 (10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid)

PDB for NP0205483 (10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid)

3D PDB for NP0205483 (10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid)

SMILES for NP0205483 (10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid)

INCHI for NP0205483 (10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid)

Structure for NP0205483 (10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid)

3D Structure for NP0205483 (10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid)