Molecule FYI-1001255

A

Molecule Summary:

ID: FYI-1001255
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\\C=C\\[C@@H](O)CCCCC)COP(O)(=O)OC[C@H](N)C(O)=O

Received at FYIcenter.com on: 2022-04-15

Molecule ID: FYI-1001255 Edit

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C=C[C@@H](O)CCCCC)COP(O)(=O)OC[C@H](N)C(O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001255
FYIcenter.com

 61 61  0  0  1  0  0  0  0  0999 V2000
   39.8014    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5890    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3765    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1641    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9517    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7392    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5268    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3143    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1019    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8895    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6770    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4646    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2521    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0397    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8273    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6148    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4024    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9775    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7651    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7651    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4904    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457   10.3388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    5.4376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    7.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    6.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    6.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4817    5.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1907    4.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8132    5.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1851    5.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2254    4.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5569    4.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    4.9000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.1526    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8526    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7651    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7651    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9775    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1899    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9775    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7651    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1899    0.0000    0.0000 O   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  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  1  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  6  0  0  0
 35 34  1  0  0  0  0
 35 36  1  6  0  0  0
 37 35  1  0  0  0  0
 38 37  1  0  0  0  0
 38 39  1  6  0  0  0
 40 38  1  0  0  0  0
 40 34  1  0  0  0  0
 40 41  1  1  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 43 44  1  6  0  0  0
 45 43  1  0  0  0  0
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 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 23  1  0  0  0  0
 51 50  1  0  0  0  0
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 55 52  1  0  0  0  0
 56 55  1  0  0  0  0
 57 56  1  0  0  0  0
 57 58  1  6  0  0  0
 59 57  1  0  0  0  0
 60 59  1  0  0  0  0
 61 59  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001255-3D
FYIcenter.com

147147  0  0  1  0  0  0  0  0999 V2000
   32.2598   25.3107   24.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
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   30.9410   24.4598   20.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2186   25.0182   18.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2852   24.0295   17.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5613   24.5887   16.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
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   28.9050   24.1565   14.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9743   23.1635   12.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.9071   22.9251    7.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9567   21.9555    5.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2425   22.4934    4.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3784   21.4522    3.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8383   21.8876    2.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.5929   28.6130   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0895   28.3075   -0.1938 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.2380   29.5438   -0.5686 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.6453   30.8214   -0.0961 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2034   29.5333   -2.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6891   28.1079   -2.5818 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.9330   28.1798   -3.2614 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7126   27.0225   -1.3084 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.5222   25.5348   -1.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3239   24.9182   -0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9833   24.7101    0.6947 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.1030   23.5329    1.5628 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4200   25.9072    1.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1638   27.3603    1.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3688   28.2369    2.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0659   29.5820    1.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1863   30.4336    2.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9753   24.7467    1.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.3724   24.7912    1.6086 O   0  0  0  0  0  0  0  0  0  0  0  0
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   31.8037   24.3709   25.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
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   30.4943   26.0742   23.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
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   32.6450   24.6791   22.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.3305   26.3980   20.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.8276   25.6521   21.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4849   23.5069   20.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.9877   24.2526   19.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.6743   25.9694   18.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1708   25.2252   19.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.8296   23.0769   17.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
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   27.8606   21.7810   10.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2022-05-01, 2040👍, 0💬