NP-MRD: Showing NP-Card for (2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid (NP0211737)

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Record Information

Version

2.0

Created at

2022-09-05 10:08:59 UTC

Updated at

2022-09-05 10:08:59 UTC

NP-MRD ID

NP0211737

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid

Description

Nikkomycin S(X), also known as nikkomycin SX, belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). (2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid is found in Streptomyces tendae. Based on a literature review very few articles have been published on Nikkomycin S(X).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 36 38  0  0  0  0  0  0  0  0999 V2000
    5.5767    0.4446   -2.3809 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6504   -0.0418   -1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4650   -0.1414   -0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738    0.2609   -0.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    0.0057    0.2271 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9536    0.2710    0.2439 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2166   -0.7248    0.9201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0499   -0.2863    0.6632 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0398   -0.2471   -0.8755 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0880    0.5404   -1.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2540    0.3733   -0.5836 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5800    1.6695    0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6387    1.7469    0.7922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7432    2.7726    0.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4022   -0.7181    0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1492   -1.2476    1.0015 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8370   -2.4992    0.4767 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3186    0.3061   -1.1315 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3066    1.5906   -1.6640 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604   -0.5408    1.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800   -0.9595    2.4594 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3281   -0.6277    0.8200 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5872   -0.4032   -0.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657    0.6999   -1.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6927    1.2285    0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2481    0.7098    1.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849   -1.2674   -1.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0750    0.2720   -1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125    3.4346    0.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0775   -0.4045    1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9442   -1.5871   -0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2274   -1.3567    2.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6104   -2.8225   -0.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8713   -0.4016   -1.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5563    1.5531   -2.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1169   -1.6019    3.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18  9  1  0
  9 10  1  0
 10 11  1  0
 11 15  1  0
 15 16  1  0
 16 17  1  0
 16  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  2  0
  3 22  1  0
 22 20  2  0
 20 21  1  0
 11 12  1  0
 12 14  1  0
 12 13  2  0
  6 18  1  0
 20  5  1  0
  8  9  1  0
 19 35  1  0
 18 34  1  6
  9 27  1  6
 11 28  1  6
 15 30  1  0
 15 31  1  0
 16 32  1  1
 17 33  1  0
  8 26  1  1
  6 25  1  1
  4 24  1  0
  2 23  1  0
 21 36  1  0
 14 29  1  0
M  END


  Mrv1652309052212092D          

 22 24  0  0  1  0            999 V2000
   -4.1441   -0.1361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3904    0.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7230   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9384   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9384   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6834   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7230   -1.1104    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
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  1  0  0  0
  9 18  1  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  6  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  3 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0211737

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1[C@@H]2O[C@@H](C[C@@H](O)[C@H]2O[C@H]1N1C=C(C=O)N=C1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H14N2O8/c15-3-4-2-14(12(20)13-4)10-7(17)9-8(22-10)5(16)1-6(21-9)11(18)19/h2-3,5-10,16-17H,1H2,(H,13,20)(H,18,19)/t5-,6+,7-,8-,9+,10-/m1/s1

> <INCHI_KEY>
UUPCVEZRKOQLAH-PIAOCPBHSA-N

> <FORMULA>
C12H14N2O8

> <MOLECULAR_WEIGHT>
314.25

> <EXACT_MASS>
314.075015419

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
28.42610222600492

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,3aS,5S,7R,7aR)-2-(4-formyl-2-hydroxy-1H-imidazol-1-yl)-3,7-dihydroxy-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid

> <JCHEM_LOGP>
-1.0004396565894103

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.009981911303656

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.135370202233176

> <JCHEM_PKA_STRONGEST_BASIC>
1.990531941617474

> <JCHEM_POLAR_SURFACE_AREA>
151.34000000000003

> <JCHEM_REFRACTIVITY>
66.4098

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,3aS,5S,7R,7aR)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2H-furo[3,2-b]pyran-5-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  O   UNK     0      -7.736  -0.254   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -6.329   0.372   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.083  -0.533   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.618  -0.057   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -2.713  -1.303   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.268  -2.549   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.530   0.237   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.864  -0.533   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.198   0.237   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       5.198   1.777   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       6.531  -0.533   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.530  -2.843   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.530  -4.383   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.268  -0.057   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.744   1.408   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.618  -2.549   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -3.142  -4.013   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0      -5.083  -2.073   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   20                                                  
CONECT    6    5    7   18                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   16                                                  
CONECT    9    8   10   18                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   11   16                                                       
CONECT   16   15    8   17                                                  
CONECT   17   16                                                            
CONECT   18    9    6   19                                                  
CONECT   19   18                                                            
CONECT   20    5   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20    3                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
Nikkomycin SX	MeSH
Nikkomycin S-X	MeSH

Chemical Formula

C₁₂H₁₄N₂O₈

Average Mass

314.2500 Da

Monoisotopic Mass

314.07502 Da

IUPAC Name

(2R,3R,3aS,5S,7R,7aR)-2-(4-formyl-2-hydroxy-1H-imidazol-1-yl)-3,7-dihydroxy-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid

Traditional Name

(2R,3R,3aS,5S,7R,7aR)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@@H]2O[C@@H](C[C@@H](O)[C@H]2O[C@H]1N1C=C(C=O)N=C1O)C(O)=O

InChI Identifier

InChI=1S/C12H14N2O8/c15-3-4-2-14(12(20)13-4)10-7(17)9-8(22-10)5(16)1-6(21-9)11(18)19/h2-3,5-10,16-17H,1H2,(H,13,20)(H,18,19)/t5-,6+,7-,8-,9+,10-/m1/s1

InChI Key

UUPCVEZRKOQLAH-PIAOCPBHSA-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 tendae	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glycosylamines

Alternative Parents

Substituents

N-glycosyl compound
Furopyran
Imidazolyl carboxylic acid derivative
Imidazole-4-carbonyl group
Aryl-aldehyde
N-substituted imidazole
Oxane
Pyran
Azole
Furan
Imidazole
Heteroaromatic compound
Oxolane
Vinylogous amide
Urea
Secondary alcohol
Oxacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Azacycle
Carboxylic acid derivative
Carboxylic acid
Ether
Dialkyl ether
Organic nitrogen compound
Aldehyde
Organic oxide
Hydrocarbon derivative
Carbonyl group
Alcohol
Organonitrogen compound
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	ChemAxon
pKa (Strongest Acidic)	3.14	ChemAxon
pKa (Strongest Basic)	1.99	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	151.34 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	66.41 m³·mol⁻¹	ChemAxon
Polarizability	28.43 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

2299882

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3035708

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid (NP0211737)

MOL for NP0211737 ((2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid)

3D MOL for NP0211737 ((2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid)

3D SDF for NP0211737 ((2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid)

3D-SDF for NP0211737 ((2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid)

PDB for NP0211737 ((2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid)

3D PDB for NP0211737 ((2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid)

SMILES for NP0211737 ((2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid)

INCHI for NP0211737 ((2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid)

Structure for NP0211737 ((2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid)

3D Structure for NP0211737 ((2r,3r,3as,5s,7r,7ar)-2-(4-formyl-2-hydroxyimidazol-1-yl)-3,7-dihydroxy-hexahydro-2h-furo[3,2-b]pyran-5-carboxylic acid)