Molecule FYI-1006708

A

Molecule Summary:

ID: FYI-1006708
Names:
InChIKey: BQSJSWATZSLRSQ-IMVLJIQESA-N
SMILES: CCCCCCCCCCCC/C=C/C(O)C(COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCC

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006708 Edit

Molecule Structure InChIKey: BQSJSWATZSLRSQ-IMVLJIQESA-N

Molecule Structure SMILES String: CCCCCCCCCCCC/C=C/C(O)C(COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006708
FYIcenter.com

 40 39  0  0  0  0  0  0  0  0999 V2000
   13.3517    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5641    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7765    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9890    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2014    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9890    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2014    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4138    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6263    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8387    4.2001    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   23.0512    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8387    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0511    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9890    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0909    2.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6522    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8428    1.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6694    2.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2274    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2480    2.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0149    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006708-3D
FYIcenter.com

104103  0  0  1  0  0  0  0  0999 V2000
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 33 88  1  0  0  0  0
 33 89  1  0  0  0  0
 34 35  1  0  0  0  0
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 34 91  1  0  0  0  0
 35 36  1  0  0  0  0
 35 92  1  0  0  0  0
 35 93  1  0  0  0  0
 36 37  1  0  0  0  0
 36 94  1  0  0  0  0
 36 95  1  0  0  0  0
 37 38  1  0  0  0  0
 37 96  1  0  0  0  0
 37 97  1  0  0  0  0
 38 39  1  0  0  0  0
 38 98  1  0  0  0  0
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 39100  1  0  0  0  0
 39101  1  0  0  0  0
 40102  1  0  0  0  0
 40103  1  0  0  0  0
 40104  1  0  0  0  0
M  END
$$$$

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2024-01-24, 1722👍, 0💬