Molecule FYI-1014278

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A

Molecule Summary:

ID: FYI-1014278
Names:
InChIKey: OKZYCXHTTZZYSK-LURJTMIESA-N
SMILES: C[C@](O)(CCOP(=O)(O)O)CC(=O)O

Received at FYIcenter.com on: 2025-03-21

Molecule ID: FYI-1014278 Edit

Molecule Structure InChIKey: OKZYCXHTTZZYSK-LURJTMIESA-N

Molecule Structure SMILES String: C[C@](O)(CCOP(=O)(O)O)CC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014278
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.7871    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  6  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014278-3D
FYIcenter.com

 27 26  0     1  0  0  0  0  0999 V2000
    3.2460   -0.1780    0.1089 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8151    1.4154    0.9137 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8232    0.2153    0.7670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7851   -2.3903   -0.6222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250   -1.4496    0.8617 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.9912   -0.9781 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8737   -1.4593   -0.8046 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3605   -0.4005    1.0889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7894    1.1023   -0.0390 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4986    0.7944    0.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940   -0.0711   -0.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6209    2.3407   -0.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7181    0.4419   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4974   -1.3523   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2474    1.6541    1.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6822   -0.0109    1.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6029   -0.2649   -1.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2660    0.1678   -1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2626    3.1961   -0.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5837    2.6432   -1.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9224    2.1664   -1.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9666    1.2609   -0.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318   -0.4629   -0.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5175    2.1796    1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9249   -3.2141   -0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    1.0018   -1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5965   -1.9515   -1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 25  1  0  0  0  0
  5 14  2  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1995👍, 0💬