NP-MRD: Showing NP-Card for Tetrahexosylceramide (d18:1/18:0) (NP0087322)

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Record Information

Version

2.0

Created at

2022-05-11 16:46:30 UTC

Updated at

2022-05-11 16:46:30 UTC

NP-MRD ID

NP0087322

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Tetrahexosylceramide (d18:1/18:0)

Description

Tetrahexosylceramide (d18:1/18:0) Belongs to the class of organic compounds known as glycosyl-n-acylsphingosines. Glycosyl-N-acylsphingosines are compounds containing a sphingosine linked to a simple glucosyl moiety. Tetrahexosylceramide (d18:1/18:0) Is a moderately basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652305221921142D          

109112  0  0  1  0            999 V2000
    7.1447    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4354   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   15.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7210   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7210   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0065   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0065    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2920    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.4341    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1460   15.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1473    8.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

201204  0  0  0  0  0  0  0  0999 V2000
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 47144  1  0
 47145  1  0
 48146  1  0
 49147  1  1
 50148  1  0
 51149  1  6
 52150  1  0
 53151  1  6
 56152  1  0
 56153  1  0
 56154  1  0
 57155  1  0
 58156  1  6
 59157  1  0
 60158  1  1
 61159  1  0
 62160  1  1
 63161  1  0
 64162  1  1
 65163  1  0
 66164  1  1
 67165  1  0
 70166  1  0
 71167  1  0
 71168  1  0
 72169  1  0
 72170  1  0
 73171  1  0
 73172  1  0
 74173  1  0
 74174  1  0
 75175  1  0
 75176  1  0
 76177  1  0
 76178  1  0
 77179  1  0
 77180  1  0
 78181  1  0
 78182  1  0
 79183  1  0
 79184  1  0
 80185  1  0
 80186  1  0
 81187  1  0
 81188  1  0
 82189  1  0
 82190  1  0
 83191  1  0
 83192  1  0
 84193  1  0
 84194  1  0
 85195  1  0
 85196  1  0
 86197  1  0
 86198  1  0
 87199  1  0
 87200  1  0
 87201  1  0
M  END


  Mrv1652305221921142D          

109112  0  0  1  0            999 V2000
    7.1447    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4354   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   15.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7210   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7210   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0065   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0065    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2920    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2920    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5775    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5775    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8631    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8631    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1486    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1486    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4341    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4341    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   15.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   16.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052    6.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.7197    7.0125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8605   15.6750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2894   13.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1473    8.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1473   11.5500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.2907    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   16.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8605   16.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2894   14.0250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5749   16.9125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.8618    9.4875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7184   11.5500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.5762    9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   10.7250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7184   14.0250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1473    9.0750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4328   11.9625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0039   14.4375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2894   15.6750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5762    8.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4328   10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7184   13.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.0039   16.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052    5.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   14.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   13.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   16.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197    7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   16.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   14.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   17.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   11.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907    9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   14.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907    7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   15.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618    7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   15.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052    7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197    6.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   16.0875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   13.6125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   12.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   17.3250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   17.3250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   14.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   16.0875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473    9.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   12.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762    9.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   11.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   14.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618    8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   11.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   13.6125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   16.0875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907    8.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    9.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   13.6125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  4  0  0  0
 31 29  1  0  0  0  0
 32 30  2  0  0  0  0
 33 31  1  0  0  0  0
 39  3  1  4  0  0  0
 40 38  1  0  0  0  0
 41 32  1  0  0  0  0
 41 40  1  0  0  0  0
 42 34  1  6  0  0  0
 43 35  1  6  0  0  0
 44 36  1  6  0  0  0
 45 37  1  1  0  0  0
 46 33  1  0  0  0  0
 48 42  1  0  0  0  0
 49 43  1  0  0  0  0
 50 47  1  0  0  0  0
 50 48  1  0  0  0  0
 53 51  1  0  0  0  0
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 56 44  1  0  0  0  0
 56 51  1  0  0  0  0
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 58 49  1  0  0  0  0
 58 55  1  0  0  0  0
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 60 53  1  0  0  0  0
 61 54  1  0  0  0  0
 62 55  1  0  0  0  0
 63 39  2  0  0  0  0
 47 63  1  1  0  0  0
 40 64  1  6  0  0  0
 64 46  2  0  0  0  0
 65 34  1  0  0  0  0
 66 35  1  0  0  0  0
 67 36  1  0  0  0  0
 68 37  1  0  0  0  0
 69 39  1  0  0  0  0
 41 70  1  1  0  0  0
 46 71  1  4  0  0  0
 48 72  1  6  0  0  0
 49 73  1  6  0  0  0
 50 74  1  1  0  0  0
 51 75  1  6  0  0  0
 52 76  1  1  0  0  0
 77 53  1  0  0  0  0
 54 78  1  6  0  0  0
 55 79  1  1  0  0  0
 80 38  1  0  0  0  0
 60 80  1  6  0  0  0
 81 42  1  0  0  0  0
 81 59  1  0  0  0  0
 82 43  1  0  0  0  0
 82 62  1  0  0  0  0
 83 44  1  0  0  0  0
 83 60  1  0  0  0  0
 84 45  1  0  0  0  0
 84 61  1  0  0  0  0
 56 85  1  6  0  0  0
 61 85  1  1  0  0  0
 57 86  1  6  0  0  0
 62 86  1  1  0  0  0
 58 87  1  1  0  0  0
 59 87  1  6  0  0  0
 40 88  1  6  0  0  0
 41 89  1  1  0  0  0
 42 90  1  1  0  0  0
 43 91  1  1  0  0  0
 44 92  1  1  0  0  0
 45 93  1  6  0  0  0
 47 94  1  6  0  0  0
 48 95  1  1  0  0  0
 49 96  1  1  0  0  0
 50 97  1  1  0  0  0
 51 98  1  1  0  0  0
 52 99  1  6  0  0  0
100 53  1  0  0  0  0
 54101  1  1  0  0  0
 55102  1  6  0  0  0
 56103  1  6  0  0  0
 57104  1  6  0  0  0
 58105  1  1  0  0  0
 59106  1  1  0  0  0
 60107  1  1  0  0  0
 61108  1  6  0  0  0
 62109  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0087322

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@](O)(C=CCCCCCCCCCCCCC)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)C1([H])O)N=C(O)CCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-53(77)51(75)56(44(36-67)83-60)85-61-54(78)52(76)57(45(37-68)84-61)86-62-55(79)58(49(73)43(35-66)82-62)87-59-47(63-39(3)69)50(74)48(72)42(34-65)81-59/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50+,51+,52+,53?,54+,55+,56+,57-,58-,59-,60+,61-,62+/m0/s1

> <INCHI_KEY>
WQRPYKCGVLWFGH-UVZUNNNCSA-N

> <FORMULA>
C62H114N2O23

> <MOLECULAR_WEIGHT>
1255.5682

> <EXACT_MASS>
1254.781237964

> <JCHEM_ACCEPTOR_COUNT>
25

> <JCHEM_ATOM_COUNT>
201

> <JCHEM_AVERAGE_POLARIZABILITY>
141.84552291231375

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
15

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2S,3R)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanimidic acid

> <ALOGPS_LOGP>
4.14

> <JCHEM_LOGP>
6.022322951333332

> <ALOGPS_LOGS>
-4.56

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
5.998321155759319

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.35574840514092

> <JCHEM_PKA_STRONGEST_BASIC>
2.599468057399675

> <JCHEM_POLAR_SURFACE_AREA>
402.01000000000016

> <JCHEM_REFRACTIVITY>
316.77559999999966

> <JCHEM_ROTATABLE_BOND_COUNT>
45

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.46e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2S,3R)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1  C   UNK     0      13.337  10.780   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      49.346  -3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      29.341  29.260   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.670  10.010   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      48.012  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.004  10.780   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      48.012  -1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      17.338  10.010   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      46.679  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.672  10.780   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      46.679   0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      20.005  10.010   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      45.345   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      21.339  10.780   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      45.345   3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      22.673  10.010   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      44.011   3.850   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      24.006  10.780   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      25.340  10.010   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      44.011   5.390   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      26.674  10.780   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      42.678   6.160   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      28.007  10.010   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      42.678   7.700   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      29.341  10.780   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      41.344   8.470   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      30.675  10.010   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      41.344  10.010   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      32.008  10.780   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      40.010  10.780   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      33.342  10.010   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      40.010  12.320   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      34.676  10.780   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      22.673  28.490   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      25.340  23.870   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      30.675  14.630   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      33.342  22.330   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      36.009  13.090   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      29.341  30.800   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      37.343  12.320   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      38.677  13.090   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      24.006  29.260   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      26.674  24.640   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      32.008  15.400   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      32.008  21.560   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      36.009  10.010   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      26.674  30.800   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      24.006  30.800   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      26.674  26.180   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      25.340  31.570   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      33.342  17.710   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      29.341  21.560   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      34.676  16.940   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      29.341  20.020   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      29.341  26.180   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      32.008  16.940   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      30.675  22.330   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      28.007  26.950   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      26.674  29.260   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      34.676  15.400   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      30.675  19.250   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      29.341  24.640   0.000  0.00  0.00           C+0
HETATM   63  N   UNK     0      28.007  31.570   0.000  0.00  0.00           N+0
HETATM   64  N   UNK     0      37.343  10.780   0.000  0.00  0.00           N+0
HETATM   65  O   UNK     0      22.673  26.950   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0      24.006  24.640   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0      30.675  13.090   0.000  0.00  0.00           O+0
HETATM   68  O   UNK     0      34.676  21.560   0.000  0.00  0.00           O+0
HETATM   69  O   UNK     0      30.675  31.570   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0      38.677  14.630   0.000  0.00  0.00           O+0
HETATM   71  O   UNK     0      36.009   8.470   0.000  0.00  0.00           O+0
HETATM   72  O   UNK     0      22.673  31.570   0.000  0.00  0.00           O+0
HETATM   73  O   UNK     0      25.340  26.950   0.000  0.00  0.00           O+0
HETATM   74  O   UNK     0      25.340  33.110   0.000  0.00  0.00           O+0
HETATM   75  O   UNK     0      33.342  19.250   0.000  0.00  0.00           O+0
HETATM   76  O   UNK     0      28.007  22.330   0.000  0.00  0.00           O+0
HETATM   77  O   UNK     0      36.009  17.710   0.000  0.00  0.00           O+0
HETATM   78  O   UNK     0      28.007  19.250   0.000  0.00  0.00           O+0
HETATM   79  O   UNK     0      30.675  26.950   0.000  0.00  0.00           O+0
HETATM   80  O   UNK     0      36.009  14.630   0.000  0.00  0.00           O+0
HETATM   81  O   UNK     0      25.340  28.490   0.000  0.00  0.00           O+0
HETATM   82  O   UNK     0      28.007  23.870   0.000  0.00  0.00           O+0
HETATM   83  O   UNK     0      33.342  14.630   0.000  0.00  0.00           O+0
HETATM   84  O   UNK     0      32.008  20.020   0.000  0.00  0.00           O+0
HETATM   85  O   UNK     0      30.675  17.710   0.000  0.00  0.00           O+0
HETATM   86  O   UNK     0      30.675  23.870   0.000  0.00  0.00           O+0
HETATM   87  O   UNK     0      28.007  28.490   0.000  0.00  0.00           O+0
HETATM   88  H   UNK     0      37.343  13.860   0.000  0.00  0.00           H+0
HETATM   89  H   UNK     0      38.677  11.550   0.000  0.00  0.00           H+0
HETATM   90  H   UNK     0      22.673  30.030   0.000  0.00  0.00           H+0
HETATM   91  H   UNK     0      25.340  25.410   0.000  0.00  0.00           H+0
HETATM   92  H   UNK     0      30.675  16.170   0.000  0.00  0.00           H+0
HETATM   93  H   UNK     0      32.008  23.100   0.000  0.00  0.00           H+0
HETATM   94  H   UNK     0      26.674  32.340   0.000  0.00  0.00           H+0
HETATM   95  H   UNK     0      24.006  32.340   0.000  0.00  0.00           H+0
HETATM   96  H   UNK     0      26.674  27.720   0.000  0.00  0.00           H+0
HETATM   97  H   UNK     0      25.340  30.030   0.000  0.00  0.00           H+0
HETATM   98  H   UNK     0      32.008  18.480   0.000  0.00  0.00           H+0
HETATM   99  H   UNK     0      29.341  23.100   0.000  0.00  0.00           H+0
HETATM  100  H   UNK     0      34.676  18.480   0.000  0.00  0.00           H+0
HETATM  101  H   UNK     0      28.007  20.790   0.000  0.00  0.00           H+0
HETATM  102  H   UNK     0      29.341  27.720   0.000  0.00  0.00           H+0
HETATM  103  H   UNK     0      33.342  16.170   0.000  0.00  0.00           H+0
HETATM  104  H   UNK     0      30.675  20.790   0.000  0.00  0.00           H+0
HETATM  105  H   UNK     0      28.007  25.410   0.000  0.00  0.00           H+0
HETATM  106  H   UNK     0      28.007  30.030   0.000  0.00  0.00           H+0
HETATM  107  H   UNK     0      36.009  16.170   0.000  0.00  0.00           H+0
HETATM  108  H   UNK     0      29.341  18.480   0.000  0.00  0.00           H+0
HETATM  109  H   UNK     0      30.675  25.410   0.000  0.00  0.00           H+0
CONECT    1    4                                                            
CONECT    2    5                                                            
CONECT    3   39                                                            
CONECT    4    1    6                                                       
CONECT    5    2    7                                                       
CONECT    6    4    8                                                       
CONECT    7    5    9                                                       
CONECT    8    6   10                                                       
CONECT    9    7   11                                                       
CONECT   10    8   12                                                       
CONECT   11    9   13                                                       
CONECT   12   10   14                                                       
CONECT   13   11   15                                                       
CONECT   14   12   16                                                       
CONECT   15   13   17                                                       
CONECT   16   14   18                                                       
CONECT   17   15   20                                                       
CONECT   18   16   19                                                       
CONECT   19   18   21                                                       
CONECT   20   17   22                                                       
CONECT   21   19   23                                                       
CONECT   22   20   24                                                       
CONECT   23   21   25                                                       
CONECT   24   22   26                                                       
CONECT   25   23   27                                                       
CONECT   26   24   28                                                       
CONECT   27   25   29                                                       
CONECT   28   26   30                                                       
CONECT   29   27   31                                                       
CONECT   30   28   32                                                       
CONECT   31   29   33                                                       
CONECT   32   30   41                                                       
CONECT   33   31   46                                                       
CONECT   34   42   65                                                       
CONECT   35   43   66                                                       
CONECT   36   44   67                                                       
CONECT   37   45   68                                                       
CONECT   38   40   80                                                       
CONECT   39    3   63   69                                                  
CONECT   40   38   41   64   88                                             
CONECT   41   32   40   70   89                                             
CONECT   42   34   48   81   90                                             
CONECT   43   35   49   82   91                                             
CONECT   44   36   56   83   92                                             
CONECT   45   37   57   84   93                                             
CONECT   46   33   64   71                                                  
CONECT   47   50   59   63   94                                             
CONECT   48   42   50   72   95                                             
CONECT   49   43   58   73   96                                             
CONECT   50   47   48   74   97                                             
CONECT   51   53   56   75   98                                             
CONECT   52   54   57   76   99                                             
CONECT   53   51   60   77  100                                             
CONECT   54   52   61   78  101                                             
CONECT   55   58   62   79  102                                             
CONECT   56   44   51   85  103                                             
CONECT   57   45   52   86  104                                             
CONECT   58   49   55   87  105                                             
CONECT   59   47   81   87  106                                             
CONECT   60   53   80   83  107                                             
CONECT   61   54   84   85  108                                             
CONECT   62   55   82   86  109                                             
CONECT   63   39   47                                                       
CONECT   64   40   46                                                       
CONECT   65   34                                                            
CONECT   66   35                                                            
CONECT   67   36                                                            
CONECT   68   37                                                            
CONECT   69   39                                                            
CONECT   70   41                                                            
CONECT   71   46                                                            
CONECT   72   48                                                            
CONECT   73   49                                                            
CONECT   74   50                                                            
CONECT   75   51                                                            
CONECT   76   52                                                            
CONECT   77   53                                                            
CONECT   78   54                                                            
CONECT   79   55                                                            
CONECT   80   38   60                                                       
CONECT   81   42   59                                                       
CONECT   82   43   62                                                       
CONECT   83   44   60                                                       
CONECT   84   45   61                                                       
CONECT   85   56   61                                                       
CONECT   86   57   62                                                       
CONECT   87   58   59                                                       
CONECT   88   40                                                            
CONECT   89   41                                                            
CONECT   90   42                                                            
CONECT   91   43                                                            
CONECT   92   44                                                            
CONECT   93   45                                                            
CONECT   94   47                                                            
CONECT   95   48                                                            
CONECT   96   49                                                            
CONECT   97   50                                                            
CONECT   98   51                                                            
CONECT   99   52                                                            
CONECT  100   53                                                            
CONECT  101   54                                                            
CONECT  102   55                                                            
CONECT  103   56                                                            
CONECT  104   57                                                            
CONECT  105   58                                                            
CONECT  106   59                                                            
CONECT  107   60                                                            
CONECT  108   61                                                            
CONECT  109   62                                                            
MASTER        0    0    0    0    0    0    0    0  109    0  224    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₂H₁₁₄N₂O₂₃

Average Mass

1255.5682 Da

Monoisotopic Mass

1254.78124 Da

IUPAC Name

N-[(2S,3R)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanimidic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@@](O)(C=CCCCCCCCCCCCCC)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)C1([H])O)N=C(O)CCCCCCCCCCCCCCCCC

InChI Identifier

InChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-53(77)51(75)56(44(36-67)83-60)85-61-54(78)52(76)57(45(37-68)84-61)86-62-55(79)58(49(73)43(35-66)82-62)87-59-47(63-39(3)69)50(74)48(72)42(34-65)81-59/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50+,51+,52+,53?,54+,55+,56+,57-,58-,59-,60+,61-,62+/m0/s1

InChI Key

WQRPYKCGVLWFGH-UVZUNNNCSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycosyl-n-acylsphingosines. Glycosyl-N-acylsphingosines are compounds containing a sphingosine linked to a simple glucosyl moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Sphingolipids

Sub Class

Glycosphingolipids

Direct Parent

Glycosyl-N-acylsphingosines

Alternative Parents

Substituents

Glycosyl-n-acylsphingosine
Oligosaccharide
N-acyl-alpha-hexosamine
Fatty acyl glycoside
Alkyl glycoside
O-glycosyl compound
Glycosyl compound
Fatty acyl
Oxane
N-acyl-amine
Fatty amide
Acetamide
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen 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	4.14	ALOGPS
logP	6.02	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	5.36	ChemAxon
pKa (Strongest Basic)	2.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	25	ChemAxon
Hydrogen Donor Count	15	ChemAxon
Polar Surface Area	402.01 Å²	ChemAxon
Rotatable Bond Count	45	ChemAxon
Refractivity	316.78 m³·mol⁻¹	ChemAxon
Polarizability	141.85 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB023548

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Tetrahexosylceramide (d18:1/18:0) (NP0087322)

MOL for NP0087322 (Tetrahexosylceramide (d18:1/18:0))

3D MOL for NP0087322 (Tetrahexosylceramide (d18:1/18:0))

3D SDF for NP0087322 (Tetrahexosylceramide (d18:1/18:0))

3D-SDF for NP0087322 (Tetrahexosylceramide (d18:1/18:0))

PDB for NP0087322 (Tetrahexosylceramide (d18:1/18:0))

3D PDB for NP0087322 (Tetrahexosylceramide (d18:1/18:0))

SMILES for NP0087322 (Tetrahexosylceramide (d18:1/18:0))

INCHI for NP0087322 (Tetrahexosylceramide (d18:1/18:0))

Structure for NP0087322 (Tetrahexosylceramide (d18:1/18:0))

3D Structure for NP0087322 (Tetrahexosylceramide (d18:1/18:0))