NP-MRD: Showing NP-Card for 4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol (NP0250259)

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Record Information

Version

2.0

Created at

2022-09-07 13:02:33 UTC

Updated at

2022-09-07 13:02:33 UTC

NP-MRD ID

NP0250259

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

Description

Zinc laurate, also known as zinc lauric acid, belongs to the class of organic compounds known as aminocyclitols. These are cyclitols with at least one hydroxyl group replace by an amino group. Zinc laurate is a very strong basic compound (based on its pKa). Zinc Laurate is a white powder with a slightly waxy odor. Zinc laurate is a potentially toxic compound. Ingestion of large doses of zinc causes stomach cramps, nausea, and vomiting. The strong cohesive properties of dry binders make them easier to disperse allowing the formulator to decrease the amount of lipids. 4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol is found in Apis cerana and Streptomyces hygroscopicus. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 49  0  0  0  0  0  0  0  0999 V2000
   -5.1213    0.7163   -2.3257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2037    1.5543   -1.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3022    0.6500   -0.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9509    0.6012   -1.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2919   -0.3931   -0.1809 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0694   -0.6049   -0.3269 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395   -0.0382    0.5073 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9016    1.0094   -0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3725    0.6770    0.1223 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2276    1.7274   -0.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0842    3.0072   -0.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7017   -0.6612   -0.4692 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0445   -0.9325   -0.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8087   -1.7473    0.0716 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5280   -2.7787    0.6618 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   -1.2252    1.0750 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8642   -2.2494    1.2303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6548    0.0594    1.2523 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4243    1.4534    1.2491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1223   -0.1125    1.4364 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4232   -1.1875    2.2830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8789   -0.2675    0.1492 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0258   -1.5775   -0.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5420    1.1911   -3.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6740    2.1553   -2.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8485    2.1574   -0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4969    1.2652   -1.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7938   -1.4086   -0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3738   -0.5262   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6256    0.4359    1.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7495    2.0249    0.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701    1.1725   -1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5795    0.6458    1.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0880    1.7835   -1.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3319    1.4712   -0.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686    3.3057   -0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082   -0.5867   -1.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1193   -1.8585    0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2327   -2.2180   -0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9251   -3.5811    0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2508   -1.0054    2.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7633   -2.7541    0.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1061   -0.4894    1.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4251    1.7690    2.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5598    0.7923    1.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3894   -1.2958    2.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9501    0.0398    0.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8756   -2.1654    0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0
 10  9  1  0
  9  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  1  0
  3 22  1  0
 22 23  1  0
 22 20  1  0
 20 21  1  0
 20 18  1  0
 18 19  1  0
  7 16  1  0
 16 17  1  0
 16 14  1  0
 14 15  1  0
 14 12  1  0
 12 13  1  0
 12  9  1  0
 18  5  1  0
 11 36  1  0
 10 34  1  0
 10 35  1  0
  9 33  1  1
  8 31  1  0
  8 32  1  0
  7 30  1  1
  6 29  1  0
  5 28  1  6
  4 27  1  0
  2 25  1  0
  2 26  1  0
  1 24  1  0
 22 47  1  1
 23 48  1  0
 20 45  1  1
 21 46  1  0
 18 43  1  1
 19 44  1  0
 16 41  1  1
 17 42  1  0
 14 39  1  6
 15 40  1  0
 12 37  1  6
 13 38  1  0
M  END


  Mrv0541 08261423182D          

 23 24  0  0  0  0            999 V2000
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  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
    0.7145    1.2375    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
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   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
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  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
    3.5724   -1.2375    0.0000 O   0  0  0  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
    3.5724   -2.8875    0.0000 O   0  0  0  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
  5  1  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17  4  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 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0250259

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1CC(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2

> <INCHI_KEY>
YCJYNBLLJHFIIW-UHFFFAOYSA-N

> <FORMULA>
C14H25NO8

> <MOLECULAR_WEIGHT>
335.3502

> <EXACT_MASS>
335.158016781

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
33.19393558216632

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

> <ALOGPS_LOGP>
-2.29

> <JCHEM_LOGP>
-5.161424735333333

> <ALOGPS_LOGS>
-0.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.132213357411324

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.586530466650888

> <JCHEM_PKA_STRONGEST_BASIC>
7.110713355423164

> <JCHEM_POLAR_SURFACE_AREA>
173.86999999999998

> <JCHEM_REFRACTIVITY>
78.0576

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.16e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-AUG-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-AUG-14         0                                  
HETATM    1  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       4.001  -0.770   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
CONECT    1    5    7                                                       
CONECT    2    6    8                                                       
CONECT    3    5   16                                                       
CONECT    4    6   17                                                       
CONECT    5    1    3    9                                                  
CONECT    6    2    4   10                                                  
CONECT    7    1   11   15                                                  
CONECT    8    2   12   15                                                  
CONECT    9    5   13   18                                                  
CONECT   10    6   14   19                                                  
CONECT   11    7   13   20                                                  
CONECT   12    8   14   21                                                  
CONECT   13    9   11   22                                                  
CONECT   14   10   12   23                                                  
CONECT   15    7    8                                                       
CONECT   16    3                                                            
CONECT   17    4                                                            
CONECT   18    9                                                            
CONECT   19   10                                                            
CONECT   20   11                                                            
CONECT   21   12                                                            
CONECT   22   13                                                            
CONECT   23   14                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
Zinc lauric acid	Generator
Validoxylamine a	MeSH

Chemical Formula

C₁₄H₂₅NO₈

Average Mass

335.3502 Da

Monoisotopic Mass

335.15802 Da

IUPAC Name

4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

Traditional Name

4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

CAS Registry Number

Not Available

SMILES

OCC1CC(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2

InChI Key

YCJYNBLLJHFIIW-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
Apis cerana	LOTUS Database	35616633
Streptomyces hygroscopicus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminocyclitols. These are cyclitols with at least one hydroxyl group replace by an amino group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

Aminocyclitols

Alternative Parents

Substituents

Aminocyclitol
Cyclohexylamine
Cyclohexanol
Secondary alcohol
1,2-aminoalcohol
Secondary amine
Polyol
Secondary aliphatic amine
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Primary alcohol
Organonitrogen compound
Amine
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

a small molecule (CPD-9669 )

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	-2.3	ALOGPS
logP	-5.2	ChemAxon
logS	-0.46	ALOGPS
pKa (Strongest Acidic)	12.59	ChemAxon
pKa (Strongest Basic)	7.11	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	173.87 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	78.06 m³·mol⁻¹	ChemAxon
Polarizability	33.19 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

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

161975

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol (NP0250259)

MOL for NP0250259 (4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol)

3D MOL for NP0250259 (4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol)

3D SDF for NP0250259 (4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol)

3D-SDF for NP0250259 (4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol)

PDB for NP0250259 (4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol)

3D PDB for NP0250259 (4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol)

SMILES for NP0250259 (4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol)

INCHI for NP0250259 (4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol)

Structure for NP0250259 (4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol)

3D Structure for NP0250259 (4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol)