Molecule FYI-1016407

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A

Molecule Summary:

ID: FYI-1016407
Names:
InChIKey: QDBLJDVWLXPWOQ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCC(O)C(O)C(N)CO

Received at FYIcenter.com on: 2025-12-23

Molecule ID: FYI-1016407 Edit

Molecule Structure InChIKey: QDBLJDVWLXPWOQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCC(O)C(O)C(N)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016407
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    4.8497    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
    2.4249    1.4000    0.0000 C   0  0  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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016407-3D
FYIcenter.com

 49 48  0     1  0  0  0  0  0999 V2000
   -4.2690    2.2538   -0.0087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7601   -0.0119   -1.6572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8188   -2.8786   -0.1318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3525   -0.6603    1.6355 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3528    1.2193    0.3627 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9501    1.6615   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966    0.7472    0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5611    1.1866   -0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8263   -0.1245   -0.2333 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6862    0.2898    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0748    0.7053   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2642   -0.5194    0.1777 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2032   -0.1759    0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5561    0.2406   -0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -0.6304    0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7157   -1.8300   -0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0967   -0.2728   -0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2073   -1.2003    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3568    1.1674    1.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7626    2.6693    0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9376    1.7839   -1.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9903   -0.2755   -0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546    0.7136    1.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5412    1.1557   -1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569    2.2252    0.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1286   -0.9161    0.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931   -0.7470    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6811    0.3061    1.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0836    0.6727   -1.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2622    1.7475    0.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9679    0.2585   -0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2335   -0.1060    1.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032   -1.2240    0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7597    1.2857    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5090    0.1943   -1.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7691   -0.5807    1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5005   -1.6758   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7261   -1.7350   -1.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7237   -2.1091   -0.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2000    2.3867   -0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0525   -0.2985   -1.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3474    0.7562   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623    0.5958   -1.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2906   -0.9653    1.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2235    0.2475    2.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3040   -1.1745    1.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0068   -2.2329   -0.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1646   -0.8970   -0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1380   -3.6853   -0.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 40  1  0  0  0  0
  2  9  1  0  0  0  0
  2 43  1  0  0  0  0
  3 16  1  0  0  0  0
  3 49  1  0  0  0  0
  4 12  1  0  0  0  0
  4 44  1  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 16  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
M  END
$$$$

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2026-01-24, 620👍, 0💬