Molecule FYI-1006705

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A

Molecule Summary:

ID: FYI-1006705
Names:
InChIKey: WEIVFXMEMCTSHA-ONEGZZNKSA-N
SMILES: C/C=C/C(O)C(COP(=O)(O)O)NC(C)=O

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

Molecule ID: FYI-1006705 Edit

Molecule Structure InChIKey: WEIVFXMEMCTSHA-ONEGZZNKSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006705
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2001    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006705-3D
FYIcenter.com

 32 31  0  0  1  0  0  0  0  0999 V2000
    1.1095    0.3240   -0.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6032    0.2979   -0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3316   -0.8059   -0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8333   -0.8653   -0.5611 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3348   -1.2318    0.7246 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3365   -1.8575   -1.6486 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413   -1.4060   -3.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2090   -2.3188   -4.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6085   -1.8181   -5.6106 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.3743   -2.9140   -6.3456 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610   -2.4927   -5.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0079   -1.3173   -7.1538 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8078   -1.9447   -1.6241 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4780   -3.0882   -1.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9766   -2.9549   -1.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9260   -4.1442   -2.2928 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7626    1.2961   -0.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052   -0.4459    0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7047    0.1719   -1.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0945    1.2360   -0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8193   -1.7370   -0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2387    0.1297   -0.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8675   -2.0313    1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9575   -2.8668   -1.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2555   -0.4240   -3.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7492   -1.3276   -3.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2140   -3.4333   -5.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4060   -1.9767   -7.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3261   -1.1781   -1.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2874   -1.9073   -1.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3911   -3.4064   -2.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -3.4688   -1.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 2392👍, 0💬