Molecule FYI-1011239

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A

Molecule Summary:

ID: FYI-1011239
Names: HISTIDINE;
InChIKey: HNDVDQJCIGZPNO-YFKPBYRVSA-N
SMILES: C1=C(NC=N1)CC(C(=O)O)N

Received at FYIcenter.com on: 2024-07-30

Molecule ID: FYI-1011239 Edit

Molecule Names: HISTIDINE;

Molecule Structure InChIKey: HNDVDQJCIGZPNO-YFKPBYRVSA-N

Molecule Structure SMILES String: C1=C(NC=N1)CC(C(=O)O)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1011239
FYIcenter.com

 20 20  0     1  0  0  0  0  0999 V2000
    2.5896    0.4476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   -1.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871   -0.8605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918    1.0656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871    0.6784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0270   -0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    0.0874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9781   -0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328   -0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871    0.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961   -0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5384   -0.9634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3181   -1.1291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8735    0.2790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871   -1.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9226    1.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310    1.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0814    1.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1858   -0.4643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  7  4  1  1  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
 10 16  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011239-3D
FYIcenter.com

 20 20  0     1  0  0  0  0  0999 V2000
   -1.0689   -1.6919   -0.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946   -1.1223    0.9038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6797    0.1409    1.1624 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7494    1.3693   -0.2178 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8201   -0.3365   -0.6825 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3579    1.3004    0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062    0.6397   -0.4567 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9671    0.6020    0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7498   -0.7917   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6556    0.3150   -1.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8043   -0.4249    0.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5942    1.3196    1.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2433    2.3450    0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3124    0.6416   -1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4441    0.1943    2.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3992    0.5299   -2.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6419    2.3346   -0.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9358    1.4198    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655   -0.8810    1.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2415   -2.6142   -0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
 10 16  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2024-08-06, 1881👍, 0💬