NP-MRD: Showing NP-Card for (2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate (NP0148976)

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Record Information

Version

2.0

Created at

2022-09-02 04:48:14 UTC

Updated at

2022-09-02 04:48:14 UTC

NP-MRD ID

NP0148976

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate

Description

Gingerglycolipid a belongs to the class of organic compounds known as 1-acyl-3-o-beta-d-digalactosyl-sn-glycerols. These are glycosylmonoacylglycerols carrying a beta-D-digalactose at the 3-position of the glycerol moiety and a fatty acyl at the O-1 position of the glycerol moiety. Thus, gingerglycolipid a is considered to be a glycosylmonoradylglycerol. (2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate is found in Guapira graciliflora, Sonchus mauritanicus and Zingiber officinale. (2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate was first documented in 2008 (PMID: 18338618). Based on a literature review a small amount of articles have been published on Gingerglycolipid a (PMID: 33922964) (PMID: 22322398).

Structure

MOL 3D MOL SDF PDB SMILES InChI

  Mrv1652309022206482D          

 47 48  0  0  1  0            999 V2000
   -3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579  -11.5500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -11.9625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -11.9625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5737   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -9.4875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0026   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881  -10.3125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0026  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737  -10.7250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5737  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -12.7875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447  -13.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158  -13.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158  -14.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -12.7875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868  -13.2000    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  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
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
 31 40  1  0  0  0  0
 40 41  1  1  0  0  0
 28 42  1  0  0  0  0
 42 43  1  6  0  0  0
 42 44  1  0  0  0  0
 44 45  1  6  0  0  0
 44 46  1  0  0  0  0
 26 46  1  0  0  0  0
 46 47  1  1  0  0  0
M  END

     RDKit          3D

103104  0  0  0  0  0  0  0  0999 V2000
   11.7656    3.4249    0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1473    2.8570   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0848    1.7895   -0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9814    0.5492   -0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9222   -0.1381   -1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7743    0.5438   -1.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5437    0.3606   -1.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1259   -0.5887   -0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4603    0.2343    0.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2192    0.0097    1.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3178   -0.9950    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8631   -1.9263    1.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9355   -2.9629    1.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6733   -2.5950    0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6278   -1.8341    1.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175   -0.4733    1.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7025    0.1330    2.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5762    0.3082    1.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860    0.7867    1.9257 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5548    0.0380    0.0847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4198    0.1539   -0.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5681   -0.7881   -0.7544 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1601   -2.1333   -0.8257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5469   -0.6104    0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7154   -1.3204    0.1216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4706   -0.9352   -0.9604 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6850   -0.4646   -0.4383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6800   -1.3790   -0.5382 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8411   -1.0207    0.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2899    0.2257   -0.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3356    0.6732    0.7460 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.9670    1.8309    1.3909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6375    2.8719    0.5388 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.4024    4.1111    0.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0845    5.1652    0.1476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8935    2.6202   -0.9024 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.9862    3.8470   -1.5620 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1682    1.8760   -1.1987 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.1967    2.7499   -1.5416 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5901    1.0015   -0.0525 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.2457   -0.1389   -0.4721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2445   -2.7770   -0.2290 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6139   -2.8970    1.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3724   -3.2458   -1.3555 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4198   -4.1227   -0.7972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6174   -2.0644   -1.9192 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2787   -1.6305   -3.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7017    3.4471    1.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0996    2.6788    1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3098    4.4130    0.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    2.7339   -1.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7088    3.7435   -0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0249    2.1379    0.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8739   -0.0980   -0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5881   -1.0205   -0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -0.7301   -2.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9615    1.2600   -2.5855 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7746    0.9707   -1.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3942   -1.2672   -0.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9093   -1.2001    0.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0135    1.0312    1.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7676    0.6482    1.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804   -0.4354    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6579   -1.6327   -0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6659   -1.3989    2.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8422   -2.4986    1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5336   -3.5890    0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7689   -3.7237    1.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8592   -2.1056   -0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1692   -3.5726    0.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7373   -1.7821    0.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2406   -2.4739    2.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9479    1.0955    2.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0201    0.0830   -1.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3765   -2.6325   -0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9665   -0.0828   -1.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5485   -0.0981    1.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1689   -3.3956   -0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2654   -2.9227    1.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9634   -3.7684   -2.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9272   -4.9437   -0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5988   -2.4120   -2.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1557   -0.6532   -3.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 28 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 46 26  1  0
 40 31  1  0
  1 48  1  0
  1 49  1  0
  1 50  1  0
  2 51  1  0
  2 52  1  0
  3 53  1  0
  4 54  1  0
  5 55  1  0
  5 56  1  0
  6 57  1  0
  7 58  1  0
  8 59  1  0
  8 60  1  0
  9 61  1  0
 10 62  1  0
 11 63  1  0
 11 64  1  0
 12 65  1  0
 12 66  1  0
 13 67  1  0
 13 68  1  0
 14 69  1  0
 14 70  1  0
 15 71  1  0
 15 72  1  0
 16 73  1  0
 16 74  1  0
 17 75  1  0
 17 76  1  0
 21 77  1  0
 21 78  1  0
 22 79  1  6
 23 80  1  0
 24 81  1  0
 24 82  1  0
 26 83  1  6
 28 84  1  6
 29 85  1  0
 29 86  1  0
 31 87  1  1
 33 88  1  6
 34 89  1  0
 34 90  1  0
 35 91  1  0
 36 92  1  6
 37 93  1  0
 38 94  1  6
 39 95  1  0
 40 96  1  1
 41 97  1  0
 42 98  1  1
 43 99  1  0
 44100  1  6
 45101  1  0
 46102  1  6
 47103  1  0
M  END

  Mrv1652309022206482D          

 47 48  0  0  1  0            999 V2000
   -3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158  -10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579  -11.5500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724  -11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -11.9625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -11.9625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5737   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -9.4875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0026   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881  -10.3125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0026  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737  -10.7250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5737  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -12.7875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447  -13.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158  -13.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158  -14.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -12.7875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868  -13.2000    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  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
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
 31 40  1  0  0  0  0
 40 41  1  1  0  0  0
 28 42  1  0  0  0  0
 42 43  1  6  0  0  0
 42 44  1  0  0  0  0
 44 45  1  6  0  0  0
 44 46  1  0  0  0  0
 26 46  1  0  0  0  0
 46 47  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0148976

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)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

> <INCHI_IDENTIFIER>
InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1

> <INCHI_KEY>
MPSGDHOYFIUPSO-MDAKJLGTSA-N

> <FORMULA>
C33H56O14

> <MOLECULAR_WEIGHT>
676.797

> <EXACT_MASS>
676.367006483

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
103

> <JCHEM_AVERAGE_POLARIZABILITY>
71.81043281228537

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-hydroxy-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}propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

> <ALOGPS_LOGP>
2.30

> <JCHEM_LOGP>
1.343740948333334

> <ALOGPS_LOGS>
-3.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.415189822309575

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.90285298327538

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083422322401

> <JCHEM_POLAR_SURFACE_AREA>
225.05999999999995

> <JCHEM_REFRACTIVITY>
171.48590000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
23

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.79e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-hydroxy-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}propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

> <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      -6.668 -14.630   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.002 -15.400   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.336 -14.630   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.669 -15.400   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.669 -16.940   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -12.003 -17.710   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -12.003 -19.250   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -10.669 -20.020   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -10.669 -21.560   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -9.336 -22.330   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -8.002 -21.560   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.668 -22.330   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335 -21.560   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.001 -22.330   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667 -21.560   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334 -22.330   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000 -21.560   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334 -22.330   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.334 -23.870   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.667 -21.560   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.001 -22.330   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335 -21.560   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.335 -20.020   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.668 -22.330   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.002 -21.560   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       9.336 -22.330   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      10.669 -21.560   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      12.003 -22.330   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.337 -21.560   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      13.337 -20.020   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      14.670 -19.250   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      14.670 -17.710   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      16.004 -16.940   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      16.004 -15.400   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      17.338 -14.630   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      17.338 -17.710   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      18.672 -16.940   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      17.338 -19.250   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      18.672 -20.020   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      16.004 -20.020   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      16.004 -21.560   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      12.003 -23.870   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      13.337 -24.640   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      10.669 -24.640   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      10.669 -26.180   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       9.336 -23.870   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       8.002 -24.640   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                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   46                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   42                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   40                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   33   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   31   41                                                  
CONECT   41   40                                                            
CONECT   42   28   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   26   47                                                  
CONECT   47   46                                                            
MASTER        0    0    0    0    0    0    0    0   47    0   96    0
END

View in JSmol

Synonyms

Value	Source
3'-O-Linolenoylglyceryl 6-O-galactopyranosyl-galactopyranoside	MeSH

Chemical Formula

C₃₃H₅₆O₁₄

Average Mass

676.7970 Da

Monoisotopic Mass

676.36701 Da

IUPAC Name

(2S)-2-hydroxy-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}propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Traditional Name

(2S)-2-hydroxy-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}propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

CAS Registry Number

Not Available

SMILES

CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)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

InChI Identifier

InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1

InChI Key

MPSGDHOYFIUPSO-MDAKJLGTSA-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
Guapira graciliflora	LOTUS Database	35616633
Sonchus mauritanicus	LOTUS Database	35616633
Zingiber officinale	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-acyl-3-o-beta-d-digalactosyl-sn-glycerols. These are glycosylmonoacylglycerols carrying a beta-D-digalactose at the 3-position of the glycerol moiety and a fatty acyl at the O-1 position of the glycerol moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Glycosylglycerols

Direct Parent

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

Alternative Parents

Substituents

1-acyl-3-o-beta-d-digalactosyl-sn-glycerol
Glycosylmonoacylglycerol
Glycosylmonoradylglycerol
Octadecanoid
Disaccharide
Glycosyl compound
O-glycosyl compound
Fatty acid ester
Fatty acyl
Oxane
Carboxylic acid ester
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Acetal
Monocarboxylic acid or derivatives
Polyol
Primary alcohol
Carbonyl group
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Organic oxide
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	2.3	ALOGPS
logP	1.34	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	11.9	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	225.06 Å²	ChemAxon
Rotatable Bond Count	23	ChemAxon
Refractivity	171.49 m³·mol⁻¹	ChemAxon
Polarizability	71.81 Å³	ChemAxon
Number of Rings	2	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

8525018

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10349562

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Guevara L, Dominguez-Anaya MA, Ortigosa A, Gonzalez-Gordo S, Diaz C, Vicente F, Corpas FJ, Perez Del Palacio J, Palma JM: Identification of Compounds with Potential Therapeutic Uses from Sweet Pepper (Capsicum annuum L.) Fruits and Their Modulation by Nitric Oxide (NO). Int J Mol Sci. 2021 Apr 25;22(9). pii: ijms22094476. doi: 10.3390/ijms22094476. [PubMed:33922964 ]
Passos Oliveira A, Raith M, Kuster RM, Rocha LM, Hamburger M, Potterat O: Metabolite profiling of the leaves of the Brazilian folk medicine Sideroxylon obtusifolium. Planta Med. 2012 May;78(7):703-10. doi: 10.1055/s-0031-1298269. Epub 2012 Feb 9. [PubMed:22322398 ]
Lai GF, Luo SD, Cao JX, Wang YF: [Studies on chemical constituents from roots of Mirabilis jalapa]. Zhongguo Zhong Yao Za Zhi. 2008 Jan;33(1):42-6. [PubMed:18338618 ]
LOTUS database [Link]

Showing NP-Card for (2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate (NP0148976)

MOL for NP0148976 ((2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate)

3D MOL for NP0148976 ((2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate)

3D SDF for NP0148976 ((2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate)

3D-SDF for NP0148976 ((2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate)

PDB for NP0148976 ((2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate)

3D PDB for NP0148976 ((2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate)

SMILES for NP0148976 ((2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate)

INCHI for NP0148976 ((2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate)

Structure for NP0148976 ((2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate)

3D Structure for NP0148976 ((2s)-2-hydroxy-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}propyl (9z,12z,15z)-octadeca-9,12,15-trienoate)