NP-MRD: Showing NP-Card for (6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid (NP0203277)

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Record Information

Version

2.0

Created at

2022-09-04 22:41:44 UTC

Updated at

2022-09-04 22:41:44 UTC

NP-MRD ID

NP0203277

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid

Description

(6S)-6-(beta-D-Glucopyranosyloxy)docosanoic acid belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. (6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid is found in Ibicella lutea. Based on a literature review very few articles have been published on (6S)-6-(beta-D-Glucopyranosyloxy)docosanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052200412D          

 36 36  0  0  1  0            999 V2000
   11.6357   -0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625   -1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4729   -1.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7998   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6163   -2.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1266   -2.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9432   -2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4535   -3.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2700   -3.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7804   -3.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.5569   -4.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0465   -3.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3527   -2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.7610   -5.4804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4548   -6.2464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   22.6589   -7.6607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   22.8631   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8424   -7.7786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.5362   -8.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5155   -7.2482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1279   -5.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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M  END

     RDKit          3D

 90 90  0  0  0  0  0  0  0  0999 V2000
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   10.5670    0.4971    0.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0872    2.5719    0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6262   -1.4048    0.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0746    2.1588   -1.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3943    0.9669   -2.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0666    0.7735   -1.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309052200412D          

 36 36  0  0  1  0            999 V2000
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   22.1486   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6383   -0.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9651   -1.1196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7610   -5.4804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4548   -6.2464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9651   -6.8946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6589   -7.6607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.1693   -8.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8631   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8424   -7.7786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.5362   -8.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3321   -7.1304    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5155   -7.2482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6383   -6.3643    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1279   -5.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 17 25  1  1  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0203277

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C28H54O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(19-16-17-20-24(30)31)35-28-27(34)26(33)25(32)23(21-29)36-28/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/t22-,23+,25+,26-,27+,28+/m0/s1

> <INCHI_KEY>
UJIFQSNWLPVVIY-XALMEILOSA-N

> <FORMULA>
C28H54O8

> <MOLECULAR_WEIGHT>
518.732

> <EXACT_MASS>
518.381868699

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
90

> <JCHEM_AVERAGE_POLARIZABILITY>
62.86040694487758

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6S)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid

> <JCHEM_LOGP>
5.766440594999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.210576283244938

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.172867000914465

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835415215253

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
138.7724

> <JCHEM_ROTATABLE_BOND_COUNT>
23

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6S)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic 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  C   UNK     0      21.720  -1.100   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      22.673  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      24.197  -2.090   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      25.149  -3.300   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      26.674  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      27.626  -4.290   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      29.150  -4.070   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      30.103  -5.280   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      31.627  -5.060   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      32.580  -6.270   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      34.104  -6.050   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      35.057  -7.260   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      36.581  -7.040   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      37.534  -8.250   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      39.058  -8.030   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      40.010  -9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      41.535  -9.020   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      42.106  -7.590   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      41.154  -6.380   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      41.725  -4.950   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      40.772  -3.740   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      41.344  -2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      40.391  -1.100   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      42.868  -2.090   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      42.487 -10.230   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      41.916 -11.660   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      42.868 -12.870   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      42.297 -14.300   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      43.249 -15.510   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      42.678 -16.940   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      40.772 -14.520   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      40.201 -15.950   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      39.820 -13.310   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      38.296 -13.530   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      40.391 -11.880   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      39.439 -10.670   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   25                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   17   26                                                       
CONECT   26   25   27   35                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   26   36                                                  
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   72    0
END

View in JSmol

Synonyms

Value	Source
(6S)-6-(b-D-Glucopyranosyloxy)docosanoate	Generator
(6S)-6-(b-D-Glucopyranosyloxy)docosanoic acid	Generator
(6S)-6-(beta-D-Glucopyranosyloxy)docosanoate	Generator
(6S)-6-(Β-D-glucopyranosyloxy)docosanoate	Generator
(6S)-6-(Β-D-glucopyranosyloxy)docosanoic acid	Generator

Chemical Formula

C₂₈H₅₄O₈

Average Mass

518.7320 Da

Monoisotopic Mass

518.38187 Da

IUPAC Name

(6S)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid

Traditional Name

(6S)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCC[C@@H](CCCCC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C28H54O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(19-16-17-20-24(30)31)35-28-27(34)26(33)25(32)23(21-29)36-28/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)/t22-,23+,25+,26-,27+,28+/m0/s1

InChI Key

UJIFQSNWLPVVIY-XALMEILOSA-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
Ibicella lutea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Very long-chain fatty acids

Alternative Parents

Substituents

Very long-chain fatty acid
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Heterocyclic fatty acid
Sugar acid
Hydroxy fatty acid
Monosaccharide
Oxane
Secondary alcohol
Acetal
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Oxacycle
Carboxylic acid
Carboxylic acid derivative
Polyol
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Alcohol
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	5.77	ChemAxon
pKa (Strongest Acidic)	4.17	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	136.68 Å²	ChemAxon
Rotatable Bond Count	23	ChemAxon
Refractivity	138.77 m³·mol⁻¹	ChemAxon
Polarizability	62.86 Å³	ChemAxon
Number of Rings	1	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

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

101514201

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid (NP0203277)

MOL for NP0203277 ((6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid)

3D MOL for NP0203277 ((6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid)

3D SDF for NP0203277 ((6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid)

3D-SDF for NP0203277 ((6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid)

PDB for NP0203277 ((6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid)

3D PDB for NP0203277 ((6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid)

SMILES for NP0203277 ((6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid)

INCHI for NP0203277 ((6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid)

Structure for NP0203277 ((6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid)

3D Structure for NP0203277 ((6s)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosanoic acid)