NP-MRD: Showing NP-Card for (2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate (NP0197690)

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Record Information

Version

2.0

Created at

2022-09-04 15:59:58 UTC

Updated at

2022-09-04 15:59:58 UTC

NP-MRD ID

NP0197690

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate

Description

(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11Z)-octadec-11-enoate belongs to the class of organic compounds known as sophorolipids. These are glycolipids containing a sophorose moiety linked glycosidically to the hydroxyl group of a 17-hydroxy-C18 saturated fatty acid. The carboxyl group of the fatty acid can be linked to the 4'-hydroxyl of the second glucose to form a lactone. Based on a literature review very few articles have been published on (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11Z)-octadec-11-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042217592D          

 42 43  0  0  1  0            999 V2000
   -0.8653   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309042217592D          

 42 43  0  0  1  0            999 V2000
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   -0.0727   -6.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218   -6.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3144   -6.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9089   -7.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7016   -7.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2960   -7.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0887   -7.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6923   -6.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8905   -5.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831   -4.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2776   -5.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0703   -5.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6647   -5.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4574   -5.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0518   -6.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8445   -6.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0426   -5.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4389   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2316   -6.3712    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4297   -5.5703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2224   -5.3415    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4205   -4.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2132   -4.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8169   -5.9136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6095   -5.6847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6187   -6.7144    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2132   -7.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8261   -6.9432    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6279   -7.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2224   -8.3161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0150   -8.0873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6095   -8.6593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4021   -8.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6003   -7.6297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4113   -9.4602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0058  -10.0322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6187   -9.6890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4205  -10.4898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0242   -9.1170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2316   -9.3458    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  2  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  2  0  0  0  0
 18 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  1  1  0  0  0
 32 31  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  6  0  0  0
 39 41  1  0  0  0  0
 32 41  1  0  0  0  0
 41 42  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0197690

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC\C=C/CCCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H54O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(33)41-30-28(26(37)24(35)21(19-32)40-30)42-29-27(38)25(36)23(34)20(18-31)39-29/h7-8,20-21,23-32,34-38H,2-6,9-19H2,1H3/b8-7-/t20-,21-,23-,24-,25+,26+,27-,28-,29+,30+/m1/s1

> <INCHI_KEY>
UEMJZJATCGVZEH-IDQCWBHXSA-N

> <FORMULA>
C30H54O12

> <MOLECULAR_WEIGHT>
606.75

> <EXACT_MASS>
606.361527179

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
67.90875111791614

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11Z)-octadec-11-enoate

> <JCHEM_LOGP>
2.7448947120000007

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.70034217281539

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.089726411891592

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083576692681

> <JCHEM_POLAR_SURFACE_AREA>
195.6

> <JCHEM_REFRACTIVITY>
152.24670000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11Z)-octadec-11-enoate

> <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      -1.615 -12.320   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.136 -11.893   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.974 -12.961   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.454 -12.534   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.563 -13.601   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.043 -13.174   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.153 -14.242   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.632 -13.815   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.892 -11.252   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.262  -9.757   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.742  -9.330   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.852 -10.398   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.331  -9.971   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.441 -11.039   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.920 -10.612   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.030 -11.679   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.510 -11.252   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      16.880  -9.757   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      17.619 -12.320   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      19.099 -11.893   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      19.469 -10.398   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      20.948  -9.971   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      21.318  -8.476   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      22.798  -8.049   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      22.058 -11.039   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      23.538 -10.612   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      21.688 -12.534   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      22.798 -13.601   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      20.209 -12.961   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      19.839 -14.456   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      20.948 -15.523   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      22.428 -15.096   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      23.538 -16.164   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      25.017 -15.737   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      25.387 -14.242   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      23.168 -17.659   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      24.278 -18.727   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      21.688 -18.086   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      21.318 -19.581   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      20.579 -17.018   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      19.099 -17.445   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                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   30                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   23   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   21   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   41                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   34   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   32   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   86    0
END

View in JSmol

Synonyms

Value	Source
(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11Z)-octadec-11-enoic acid	Generator

Chemical Formula

C₃₀H₅₄O₁₂

Average Mass

606.7500 Da

Monoisotopic Mass

606.36153 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCC\C=C/CCCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C30H54O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(33)41-30-28(26(37)24(35)21(19-32)40-30)42-29-27(38)25(36)23(34)20(18-31)39-29/h7-8,20-21,23-32,34-38H,2-6,9-19H2,1H3/b8-7-/t20-,21-,23-,24-,25+,26+,27-,28-,29+,30+/m1/s1

InChI Key

UEMJZJATCGVZEH-IDQCWBHXSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sophorolipids. These are glycolipids containing a sophorose moiety linked glycosidically to the hydroxyl group of a 17-hydroxy-C18 saturated fatty acid. The carboxyl group of the fatty acid can be linked to the 4'-hydroxyl of the second glucose to form a lactone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Sophorolipids

Alternative Parents

Substituents

Sophorolipid
Fatty acyl glycoside of mono- or disaccharide
Disaccharide
Glycosyl compound
O-glycosyl compound
Fatty acid ester
Oxane
Carboxylic acid ester
Secondary alcohol
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Oxacycle
Acetal
Carboxylic acid derivative
Polyol
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Primary 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

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

162927053

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate (NP0197690)

MOL for NP0197690 ((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate)

3D MOL for NP0197690 ((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate)

3D SDF for NP0197690 ((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate)

3D-SDF for NP0197690 ((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate)

PDB for NP0197690 ((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate)

3D PDB for NP0197690 ((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate)

SMILES for NP0197690 ((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate)

INCHI for NP0197690 ((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate)

Structure for NP0197690 ((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate)

3D Structure for NP0197690 ((2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (11z)-octadec-11-enoate)