Molecule FYI-1007456

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Molecule Summary:

ID: FYI-1007456
Names:
InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-M
SMILES: [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]

Received at FYIcenter.com on: 2024-02-23

Molecule ID: FYI-1007456 Edit

Molecule Structure InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-M

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007456
FYIcenter.com

 10  9  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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007456-3D
FYIcenter.com

 18 17  0     1  0  0  0  0  0999 V2000
    3.0748   -0.5087   -0.6419 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5345   -1.6209    0.6207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624   -0.6822   -1.0377 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8241    0.3214    0.9849 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586    1.8127   -0.5875 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3543    0.7350    0.4309 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1523    0.6405    0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9695    0.0286   -0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0526   -0.5942    0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4665   -0.1322   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440    1.1186    1.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449    1.6372    0.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2999    0.0349    1.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8846    0.6539   -1.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891   -0.9645   -0.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1768    1.5491   -1.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5602    2.0063   -0.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138    2.6963   -0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  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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2024-03-07, 1350👍, 0💬