Molecule Editor

Molecule ID: FYI-1013162 Edit

Molecule Structure InChIKey: YKMGQFUXYYTRLF-SLJXNWFNSA-K

Molecule Structure SMILES String: O=C(O)C[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H]1O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013162
FYIcenter.com

 29 29  0  0  1  0  0  0  0  0999 V2000
    3.8249    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    3.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.7622    2.2876    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    9.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   11.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  6  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
 14  9  1  0  0  0  0
 14 15  1  6  0  0  0
 13 16  1  6  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 12 21  1  1  0  0  0
 11 22  1  6  0  0  0
 10 23  1  1  0  0  0
 24  2  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27  1  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013162-3D
FYIcenter.com

 46 46  0  0  1  0  0  0  0  0999 V2000
    1.9186    2.2227   -7.0853 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849    1.0235   -6.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6156    0.2387   -7.8849 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868    0.2729   -5.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2638   -0.2825   -5.7774 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1351   -1.0327   -4.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0674   -0.1681   -3.3926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4839   -0.9654   -1.9149 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.7014   -1.9290   -2.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2729    0.3847   -1.2120 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9004   -1.7626   -0.4371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9422   -1.1096    0.2445 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2054   -0.9895   -0.6278 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9543   -0.1959   -1.8225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2980   -0.2883    0.1533 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5629   -0.3713   -0.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4983   -0.8027    1.5864 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5050    0.1296    2.0385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1061   -0.9007    2.3381 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0921   -1.3162    3.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0729   -0.2532    4.6769 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8205    0.9060    3.6945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1829   -1.2958    4.4592 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.0537    0.8098    5.6261 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1925   -1.8313    1.5635 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8045   -3.1209    1.3852 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1654   -1.2476   -6.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1286   -1.8121   -7.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -1.4017   -7.4095 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.7243   -7.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    0.9686   -4.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221   -0.5198   -5.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4141    0.5637   -5.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5299   -1.8948   -4.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5806   -0.1079    0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1807   -0.0815    0.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9914   -1.7805    1.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1028    0.5442    2.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911    0.0669    2.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2525   -2.0020    2.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2767   -3.2656    2.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7604   -0.8935   -6.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5 33  1  6  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 11  1  0  0  0  0
 12 36  1  1  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  6  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  1  0  0  0
 16 40  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  6  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 19 43  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  1  0  0  0
 26 45  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
$$$$