Molecule FYI-1006992

A

Molecule Summary:

ID: FYI-1006992
Names: GLUTAMIC ACID;
InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES: N[C@@H](CCC(=O)O)C(=O)O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006992 Edit

Molecule Names: GLUTAMIC ACID;

Molecule Structure InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N

Molecule Structure SMILES String: N[C@@H](CCC(=O)O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006992
FYIcenter.com

 10  9  0  0  1  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  2  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  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006992-3D
FYIcenter.com

 19 18  0     1  0  0  0  0  0999 V2000
    1.8673    1.4740   -1.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1163    0.7071    1.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.7410    1.0154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9184   -0.2347   -0.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806   -1.7797    0.5894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1238   -0.6649   -0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.7970   -0.4512 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9609   -0.0832    0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137    0.5241   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4156    0.1132    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5282   -1.6486   -0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2668   -0.0337   -1.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8836   -1.1268   -1.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9129   -0.7486    1.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5643    0.8967    0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6879   -1.9245    0.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2786   -2.6805    0.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2713    2.3275   -0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0615    0.8235    0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

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2024-01-31, 946👍, 0💬