Molecule FYI-1007993

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Molecule Summary:

ID: FYI-1007993
Names:
InChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-M
SMILES: [NH3+][C@@H](CC(=O)[O-])C(=O)[O-]

Received at FYIcenter.com on: 2024-03-24

Molecule ID: FYI-1007993 Edit

Molecule Structure InChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-M

Molecule Structure SMILES String: [NH3+][C@@H](CC(=O)[O-])C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1007993
FYIcenter.com

  9  8  0  0  1  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007993-3D
FYIcenter.com

 15 14  0     1  0  0  0  0  0999 V2000
    2.4704    0.1052    0.6591 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1962    1.6411   -0.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9167    0.3344   -0.1187 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1240    0.2269    1.2906 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850   -1.9133    0.1705 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6660   -0.6694   -0.6634 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7895   -0.3233   -0.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5206    0.4741   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7080    0.1243    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529   -0.9646   -1.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8115    0.4843   -1.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2713   -1.1872   -1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2579   -1.7561    1.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6483   -2.2377    0.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1747   -2.6831   -0.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 152👍, 0💬