Molecule FYI-1014806

A

Molecule Summary:

ID: FYI-1014806
Names:
InChIKey: AXKVUJMUBAXXKG-LJQANCHMSA-N
SMILES: CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014806 Edit

Molecule Structure InChIKey: AXKVUJMUBAXXKG-LJQANCHMSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014806
FYIcenter.com

 28 27  0  0  1  0  0  0  0  0999 V2000
   27.8860    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   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
    2.4248    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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  2  0  0  0  0
 19 17  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  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
 21 28  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014806-3D
FYIcenter.com

 69 68  0  0  1  0  0  0  0  0999 V2000
    0.9217    0.0921    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4384    0.0718    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -1.3492    0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4937   -1.3654    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0208   -2.7872    0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5430   -2.7952    0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0720   -4.2147    0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5933   -4.2105    0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1285   -5.6233    0.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6517   -5.6142    0.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1677   -7.0355    0.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6927   -7.0784    0.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2239   -8.4999    1.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7685   -9.4108   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3176  -10.8122    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8023  -11.7021   -1.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4030  -13.0766   -0.9612 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5439  -13.3095   -0.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5377  -13.9822   -1.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0717  -15.2597   -1.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7461  -15.0889   -3.2558 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7583  -14.0571   -3.1999 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3820  -16.3937   -3.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4032  -17.4205   -3.8246 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0587  -18.9407   -4.3268 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.2671  -19.4129   -2.8879 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5284  -19.4078   -4.7021 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7143  -20.4609   -4.8290 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5563    1.1167   -0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5289   -0.3073    1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -0.5088   -0.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151    0.7065    0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8057    0.4972   -0.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -1.9830   -0.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003   -1.7757    1.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8765   -0.7395    1.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   -0.9383   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6449   -3.4164   -0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531   -3.2202    1.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209   -2.1744    1.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9146   -2.3555   -0.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7032   -4.8367   -0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6993   -4.6580    1.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9617   -3.5806    1.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659   -3.7771   -0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7684   -6.2503   -0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7482   -6.0651    1.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0162   -4.9942    1.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0302   -5.1778   -0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7550   -7.6293    0.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7967   -7.4739    1.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0865   -6.4638    1.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0678   -6.6461   -0.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8939   -8.9121    1.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3197   -8.4672    1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0911   -8.9971   -1.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6754   -9.4806   -0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0129  -11.2261    1.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4131  -10.7890    0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0720  -11.2976   -2.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7098  -11.7697   -1.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2488  -15.9764   -1.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7880  -15.5984   -1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9962  -14.7484   -3.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8654  -13.7816   -2.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1814  -16.7044   -3.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8375  -16.2467   -4.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0195  -19.5131   -3.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0903  -20.8474   -4.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 50  1  0  0  0  0
 11 51  1  0  0  0  0
 12 13  1  0  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 13 54  1  0  0  0  0
 13 55  1  0  0  0  0
 14 15  1  0  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
 15 16  1  0  0  0  0
 15 58  1  0  0  0  0
 15 59  1  0  0  0  0
 16 17  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 62  1  0  0  0  0
 20 63  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 64  1  6  0  0  0
 22 65  1  0  0  0  0
 23 24  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 68  1  0  0  0  0
 28 69  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1750👍, 0💬