NP-MRD: Showing NP-Card for 2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0231890)

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Record Information

Version

2.0

Created at

2022-09-06 12:55:57 UTC

Updated at

2022-09-06 12:55:57 UTC

NP-MRD ID

NP0231890

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Description

2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. 2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin is a very strong basic compound (based on its pKa). Outside of the human body, 2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin has been detected, but not quantified in, fruits. 2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol is found in Morus alba and Morus australis. This could make 2-O-alpha-D-galactopyranosyl-1-deoxynojirimycin a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
    5.8224    1.4961   -0.6036 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7908    1.5203    0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9080    0.2807    0.1978 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8430    0.3288    1.1705 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7642    1.1415    0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9521    0.2948   -0.3088 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1550   -0.5503    0.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2008   -0.4328    0.1665 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7508   -1.6077   -0.3401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0184   -1.4326   -0.8211 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0631   -0.7528   -2.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3709   -0.5978   -2.6141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9882   -0.8046    0.1538 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2255   -1.7408    1.1760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3742    0.4085    0.7845 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1785    0.9481    1.7789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221   -0.0372    1.3618 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5353    1.0239    2.0787 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590   -0.5421   -1.1103 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2226   -1.7375   -0.4183 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3016    0.1903   -1.1734 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2173    1.3936   -1.8400 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5447    0.8739   -0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1686    2.4056    0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1433    1.6489    1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5152   -0.6404    0.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1712    0.6518    2.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1679    2.0480    0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1174    1.4128    1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3799    0.9620   -0.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3252    0.3658   -0.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4294   -2.4710   -1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379   -1.3450   -2.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6002    0.2526   -2.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6745   -1.3434   -3.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9198   -0.5893   -0.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0441   -2.6682    0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1338    1.1616    0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9681    0.3494    1.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2429   -0.9289    1.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7950    0.9424    3.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6148   -0.7087   -2.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4820   -1.9243    0.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9605   -0.4950   -1.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1974    1.2492   -2.8188 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  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21  3  1  0
 17  8  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  1
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  6
  8 31  1  6
 10 32  1  6
 11 33  1  0
 11 34  1  0
 12 35  1  0
 13 36  1  6
 14 37  1  0
 15 38  1  6
 16 39  1  0
 17 40  1  1
 18 41  1  0
 19 42  1  6
 20 43  1  0
 21 44  1  6
 22 45  1  0
M  END


  Mrv0541 05061312352D          

 22 23  0  0  0  0            999 V2000
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  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
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 O   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
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 21  5  1  0  0  0  0
 21 12  1  0  0  0  0
 22  6  1  0  0  0  0
 22 12  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0231890

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1NCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H23NO9/c14-2-4-7(16)8(17)5(1-13-4)21-12-11(20)10(19)9(18)6(3-15)22-12/h4-20H,1-3H2

> <INCHI_KEY>
CQLSQWAVFSEMIE-UHFFFAOYSA-N

> <FORMULA>
C12H23NO9

> <MOLECULAR_WEIGHT>
325.3123

> <EXACT_MASS>
325.137281339

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
31.39027803638891

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.70

> <JCHEM_LOGP>
-4.656578828666667

> <ALOGPS_LOGS>
-0.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.831948824407714

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.139289151930175

> <JCHEM_PKA_STRONGEST_BASIC>
7.993749087289181

> <JCHEM_POLAR_SURFACE_AREA>
172.09999999999997

> <JCHEM_REFRACTIVITY>
68.9877

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.61e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  13.090   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000  10.780   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       2.667   4.620   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.000  13.860   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -1.334  11.550   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.001   8.470   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.667  10.780   0.000  0.00  0.00           O+0
CONECT    1    5   13                                                       
CONECT    2    4   14                                                       
CONECT    3    6   15                                                       
CONECT    4    2    7   13                                                  
CONECT    5    1    8   21                                                  
CONECT    6    3    9   22                                                  
CONECT    7    4    8   16                                                  
CONECT    8    5    7   17                                                  
CONECT    9    6   10   18                                                  
CONECT   10    9   11   19                                                  
CONECT   11   10   12   20                                                  
CONECT   12   11   21   22                                                  
CONECT   13    1    4                                                       
CONECT   14    2                                                            
CONECT   15    3                                                            
CONECT   16    7                                                            
CONECT   17    8                                                            
CONECT   18    9                                                            
CONECT   19   10                                                            
CONECT   20   11                                                            
CONECT   21    5   12                                                       
CONECT   22    6   12                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
2-O-a-D-Galactopyranosyl-1-deoxynojirimycin	Generator
2-O-Α-D-galactopyranosyl-1-deoxynojirimycin	Generator

Chemical Formula

C₁₂H₂₃NO₉

Average Mass

325.3123 Da

Monoisotopic Mass

325.13728 Da

IUPAC Name

2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

OCC1NCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

InChI Identifier

InChI=1S/C12H23NO9/c14-2-4-7(16)8(17)5(1-13-4)21-12-11(20)10(19)9(18)6(3-15)22-12/h4-20H,1-3H2

InChI Key

CQLSQWAVFSEMIE-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
Morus alba	LOTUS Database	35616633
Morus australis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
O-glycosyl compound
Monosaccharide
Oxane
Piperidine
1,2-aminoalcohol
Secondary alcohol
Acetal
Secondary aliphatic amine
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Secondary amine
Hydrocarbon derivative
Alcohol
Organonitrogen compound
Amine
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	ALOGPS
logP	-4.7	ChemAxon
logS	-0.1	ALOGPS
pKa (Strongest Acidic)	12.14	ChemAxon
pKa (Strongest Basic)	7.99	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	172.1 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	68.99 m³·mol⁻¹	ChemAxon
Polarizability	31.39 Å³	ChemAxon
Number of Rings	2	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

HMDB0041337

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB021260

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

73038179

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0231890)

MOL for NP0231890 (2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D MOL for NP0231890 (2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D SDF for NP0231890 (2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D-SDF for NP0231890 (2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

PDB for NP0231890 (2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D PDB for NP0231890 (2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

SMILES for NP0231890 (2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

INCHI for NP0231890 (2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

Structure for NP0231890 (2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D Structure for NP0231890 (2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)