NP-MRD: Showing NP-Card for (2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate (NP0145083)

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Record Information

Version

2.0

Created at

2022-09-02 00:12:30 UTC

Updated at

2022-09-02 00:12:31 UTC

NP-MRD ID

NP0145083

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate

Description

(2S)-1-(hexadecanoyloxy)-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9Z)-nonadec-9-enoate belongs to the class of organic compounds known as 3-o-beta-d-digalactosyl-sn-glycerols. These are glycosylglycerols carrying a beta-D-digalactose at the 3-position of the glycerol moiety. (2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate is found in Lycium barbarum. Based on a literature review very few articles have been published on (2S)-1-(hexadecanoyloxy)-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9Z)-nonadec-9-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022202122D          

 65 66  0  0  1  0            999 V2000
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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M  END

     RDKit          3D

157158  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309022202122D          

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 64 65  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0145083

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/CCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C50H92O15/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-42(53)63-38(35-60-41(52)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2)36-61-49-48(59)46(57)44(55)40(65-49)37-62-50-47(58)45(56)43(54)39(34-51)64-50/h18-19,38-40,43-51,54-59H,3-17,20-37H2,1-2H3/b19-18-/t38-,39-,40-,43+,44+,45+,46+,47-,48-,49-,50+/m1/s1

> <INCHI_KEY>
GGRVBWLZOCKNOB-DAMJKHFKSA-N

> <FORMULA>
C50H92O15

> <MOLECULAR_WEIGHT>
933.271

> <EXACT_MASS>
932.643622262

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
157

> <JCHEM_AVERAGE_POLARIZABILITY>
110.20028372630908

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-(hexadecanoyloxy)-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9Z)-nonadec-9-enoate

> <ALOGPS_LOGP>
6.82

> <JCHEM_LOGP>
9.433206828999998

> <ALOGPS_LOGS>
-5.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.432924895860126

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.910700359940154

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083422322401

> <JCHEM_POLAR_SURFACE_AREA>
231.12999999999997

> <JCHEM_REFRACTIVITY>
247.44510000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
42

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.81e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-1-(hexadecanoyloxy)-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9Z)-nonadec-9-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0     -21.339  -1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -20.005  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -18.672  -1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -17.338  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -16.004  -1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -14.670  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -13.337  -1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -12.003  -2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -10.669  -1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -9.336   0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.668   0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.001   0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334   0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334   0.770   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.668   0.770   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       8.002  -1.540   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       9.336   0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.003   0.770   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      13.337  -0.000   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.670   0.770   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.004  -0.000   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      17.338   0.770   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      18.672  -0.000   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      20.005   0.770   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      21.339  -0.000   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      22.673   0.770   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      24.006  -0.000   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      25.340   0.770   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      26.674  -0.000   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      28.007   0.770   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.667   3.080   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       1.334   5.390   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       0.000   7.700   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      -2.667   7.700   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -4.001   6.930   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      -5.335   7.700   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -6.668   6.930   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      -8.002   7.700   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      -6.668  10.010   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0      -4.001  10.010   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      -4.001  11.550   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0      -1.334  10.010   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0       2.667   7.700   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0       2.667   9.240   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   63  O   UNK     0       5.335   7.700   0.000  0.00  0.00           O+0
HETATM   64  C   UNK     0       4.001   5.390   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0       5.335   4.620   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                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   42                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40                                                            
CONECT   42   22   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45   64                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47   60                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   58                                                  
CONECT   50   49   51                                                       
CONECT   51   50   52   54                                                  
CONECT   52   51   53                                                       
CONECT   53   52                                                            
CONECT   54   51   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56   49   59                                                  
CONECT   59   58                                                            
CONECT   60   46   61   62                                                  
CONECT   61   60                                                            
CONECT   62   60   63   64                                                  
CONECT   63   62                                                            
CONECT   64   62   44   65                                                  
CONECT   65   64                                                            
MASTER        0    0    0    0    0    0    0    0   65    0  132    0
END

View in JSmol

Synonyms

Value	Source
(2S)-1-(Hexadecanoyloxy)-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9Z)-nonadec-9-enoic acid	Generator

Chemical Formula

C₅₀H₉₂O₁₅

Average Mass

933.2710 Da

Monoisotopic Mass

932.64362 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/CCCCCCCCC

InChI Identifier

InChI=1S/C50H92O15/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-42(53)63-38(35-60-41(52)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2)36-61-49-48(59)46(57)44(55)40(65-49)37-62-50-47(58)45(56)43(54)39(34-51)64-50/h18-19,38-40,43-51,54-59H,3-17,20-37H2,1-2H3/b19-18-/t38-,39-,40-,43+,44+,45+,46+,47-,48-,49-,50+/m1/s1

InChI Key

GGRVBWLZOCKNOB-DAMJKHFKSA-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
Lycium barbarum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3-o-beta-d-digalactosyl-sn-glycerols. These are glycosylglycerols carrying a beta-D-digalactose at the 3-position of the glycerol moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Glycosylglycerols

Direct Parent

3-O-beta-D-digalactosyl-sn-glycerols

Alternative Parents

Substituents

3-o-beta-d-digalactosyl-sn-glycerol
Glycosyldiacylglycerol
Glycosyldiradylglycerol
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Disaccharide
Glycosyl compound
O-glycosyl compound
Fatty acid ester
Dicarboxylic acid or derivatives
Fatty acyl
Oxane
Carboxylic acid ester
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Carboxylic acid derivative
Polyol
Organooxygen compound
Alcohol
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
logP	6.82	ALOGPS
logS	-5.5	ALOGPS

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

162934539

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate (NP0145083)

MOL for NP0145083 ((2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate)

3D MOL for NP0145083 ((2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate)

3D SDF for NP0145083 ((2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate)

3D-SDF for NP0145083 ((2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate)

PDB for NP0145083 ((2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate)

3D PDB for NP0145083 ((2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate)

SMILES for NP0145083 ((2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate)

INCHI for NP0145083 ((2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate)

Structure for NP0145083 ((2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate)

3D Structure for NP0145083 ((2s)-1-(hexadecanoyloxy)-3-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propan-2-yl (9z)-nonadec-9-enoate)