Molecule FYI-1004988

A

Molecule Summary:

ID: FYI-1004988
Names:
InChIKey: UZMPYXSDDZXMAI-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1O)OC(=O)CCCCCCCCCCCCCCC

Received at FYIcenter.com on: 2023-10-06

Molecule ID: FYI-1004988 Edit

Molecule Structure InChIKey: UZMPYXSDDZXMAI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1O)OC(=O)CCCCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004988
FYIcenter.com

 63 63  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0363   20.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487   18.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   24.9487   16.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   17.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5487   19.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860   20.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860   23.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860   24.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   29.2860   24.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860   25.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4860   24.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611   24.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   18.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
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 32 31  1  0  0  0  0
 32 27  1  0  0  0  0
 33 32  1  0  0  0  0
 34 31  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
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 45 28  1  0  0  0  0
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 61 60  1  0  0  0  0
 62 61  1  0  0  0  0
 63 62  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004988-3D
FYIcenter.com

144144  0  0  1  0  0  0  0  0999 V2000
   29.7752   20.3937   -2.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2758   19.8033   -0.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4628   18.5403   -1.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9546   17.9458    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1489   16.6796   -0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6386   16.0934    1.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8317   14.8294    0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.5156   12.9804    1.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0137   12.3895    3.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1994   11.1268    2.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6939   10.5353    4.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.3716    8.6972    5.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5653    7.4156    5.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0939    6.8994    6.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4225    8.3253    9.5403 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.9068    7.8495   10.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3519    8.6878   11.9873 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1119    5.2715   19.7116 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6119    4.6073   19.2851 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4594    4.3489   12.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
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   30.1302   19.5728   -0.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0815   17.8043   -1.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.6132   18.7743   -1.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3285   18.6789    0.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.8011   17.7156    0.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-10-13, 429👍, 0💬