NP-MRD: Showing NP-Card for n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid (NP0201750)

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Record Information

Version

2.0

Created at

2022-09-04 20:51:09 UTC

Updated at

2022-09-04 20:51:09 UTC

NP-MRD ID

NP0201750

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

Description

N-[(2R,3S,4R,5S,6R)-2-{[(2S,3S)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid is found in Burkholderia cepacia. Based on a literature review very few articles have been published on N-[(2R,3S,4R,5S,6R)-2-{[(2S,3S)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 44  0  0  0  0  0  0  0  0999 V2000
   -1.8497    3.2215   -0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297    2.2991   -1.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2111    2.7638   -2.7342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2531    1.0447   -1.2149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4682    0.5349    0.0988 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1973    0.3346    0.8722 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8318   -0.2432    0.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648    0.4923    0.0403 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1860   -0.0908    0.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2966    0.7287    0.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2521    0.8136   -1.4110 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3976   -0.4208   -2.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164    1.5659   -1.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116   -0.3483    2.0471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0446   -1.5526    1.9318 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2640   -2.6291    1.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0864   -3.7801    1.2369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4052   -1.4659    1.2818 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3676   -0.9135    2.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2975   -0.7180   -0.0217 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8725   -1.5282   -1.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8903    3.0058   -0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9059    4.2595   -0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1785    3.2442    0.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9914    2.7507   -3.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0823    1.2623    0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1450    1.3675    1.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930    1.4868    0.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4567   -1.0869    0.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0391   -0.1301    1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2891    1.4366    1.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404    1.4229   -1.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0275   -0.1564   -3.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4161   -0.7282   -2.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9219   -1.2503   -1.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0743    1.1293   -2.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2382   -1.9116    2.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0981   -2.3852    0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074   -2.8332    1.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090   -4.3311    2.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7159   -2.5108    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5914   -1.5321    2.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3332   -0.3924   -0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5633   -2.2259   -1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0
 11 13  1  0
 11  8  1  0
  8  9  1  0
  9 10  1  0
  8  7  1  0
  7  6  1  0
  6 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20  5  1  0
  5  4  1  0
  4  2  2  0
  2  1  1  0
  2  3  1  0
  5  6  1  0
 12 33  1  0
 12 34  1  0
 12 35  1  0
 11 32  1  6
 13 36  1  0
  8 28  1  1
  9 29  1  0
  9 30  1  0
 10 31  1  0
  6 27  1  1
 15 37  1  1
 16 38  1  0
 16 39  1  0
 17 40  1  0
 18 41  1  6
 19 42  1  0
 20 43  1  6
 21 44  1  0
  5 26  1  1
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
M  END


  Mrv1652309042222512D          

 21 21  0  0  1  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  6  0  0  0
  6 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
  5 20  1  0  0  0  0
 20 21  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0201750

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](O)[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1N=C(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C12H23NO8/c1-5(16)7(3-14)20-12-9(13-6(2)17)11(19)10(18)8(4-15)21-12/h5,7-12,14-16,18-19H,3-4H2,1-2H3,(H,13,17)/t5-,7-,8+,9-,10+,11+,12+/m0/s1

> <INCHI_KEY>
RVQKKAGYGVTHJB-UOWIQSJTSA-N

> <FORMULA>
C12H23NO8

> <MOLECULAR_WEIGHT>
309.315

> <EXACT_MASS>
309.142366705

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
30.265475619958032

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2R,3S,4R,5S,6R)-2-{[(2S,3S)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

> <JCHEM_LOGP>
-2.6617057103333335

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.880622703332815

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.805699367565008

> <JCHEM_PKA_STRONGEST_BASIC>
1.552945383590689

> <JCHEM_POLAR_SURFACE_AREA>
152.20000000000002

> <JCHEM_REFRACTIVITY>
68.9712

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2R,3S,4R,5S,6R)-2-{[(2S,3S)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       1.334   3.850   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   20                                                  
CONECT    6    5    7   14                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    6   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18    5   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END

View in JSmol

Synonyms

Value	Source
N-[(2R,3S,4R,5S,6R)-2-{[(2S,3S)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidate	Generator

Chemical Formula

C₁₂H₂₃NO₈

Average Mass

309.3150 Da

Monoisotopic Mass

309.14237 Da

IUPAC Name

N-[(2R,3S,4R,5S,6R)-2-{[(2S,3S)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

Traditional Name

N-[(2R,3S,4R,5S,6R)-2-{[(2S,3S)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid

CAS Registry Number

Not Available

SMILES

C[C@H](O)[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1N=C(C)O

InChI Identifier

InChI=1S/C12H23NO8/c1-5(16)7(3-14)20-12-9(13-6(2)17)11(19)10(18)8(4-15)21-12/h5,7-12,14-16,18-19H,3-4H2,1-2H3,(H,13,17)/t5-,7-,8+,9-,10+,11+,12+/m0/s1

InChI Key

RVQKKAGYGVTHJB-UOWIQSJTSA-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
Burkholderia cepacia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-acyl-alpha-hexosamines

Alternative Parents

Substituents

N-acyl-alpha-hexosamine
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Monosaccharide
Oxane
Secondary alcohol
Acetal
Carboximidic acid
Carboximidic acid derivative
Oxacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Hydrocarbon derivative
Alcohol
Organonitrogen compound
Organic nitrogen compound
Primary alcohol
Organopnictogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	-2.7	ChemAxon
pKa (Strongest Acidic)	5.81	ChemAxon
pKa (Strongest Basic)	1.55	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	152.2 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	68.97 m³·mol⁻¹	ChemAxon
Polarizability	30.27 Å³	ChemAxon
Number of Rings	1	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

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

162985411

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid (NP0201750)

MOL for NP0201750 (n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid)

3D MOL for NP0201750 (n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid)

3D SDF for NP0201750 (n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid)

3D-SDF for NP0201750 (n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid)

PDB for NP0201750 (n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid)

3D PDB for NP0201750 (n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid)

SMILES for NP0201750 (n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid)

INCHI for NP0201750 (n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid)

Structure for NP0201750 (n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid)

3D Structure for NP0201750 (n-[(2r,3s,4r,5s,6r)-2-{[(2s,3s)-1,3-dihydroxybutan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanimidic acid)