Molecule FYI-1016545

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Molecule Summary:

ID: FYI-1016545
Names:
InChIKey: NMEIGRPHZYRSKA-UHFFFAOYSA-N
SMILES: O=C(O)CCCCCNCCCCCCO

Received at FYIcenter.com on: 2026-01-20

Molecule ID: FYI-1016545 Edit

Molecule Structure InChIKey: NMEIGRPHZYRSKA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCCNCCCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1016545
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.1392    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3516    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7765    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9889    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2014    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4138    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5616    2.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8607    1.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9623    2.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2613    2.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3629    2.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5387    2.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6340    2.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016545-3D
FYIcenter.com

 41 40  0     0  0  0  0  0  0999 V2000
    9.1477    0.1876    0.1614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1600    0.6028    0.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1181   -1.4141    0.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4588   -0.2705   -0.1148 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9334   -0.3655   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366    0.4337    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6844    0.5171   -0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9883   -0.2525   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147    0.5910   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4567   -0.4889   -0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2706    0.5855   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5471   -0.2573   -0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7564    0.3021    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7914    0.6256    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9765   -0.6041    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0602   -0.1924    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8882   -1.0797    0.7491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9419   -0.9570   -1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2416    1.0106    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2887    1.1527   -0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7242    1.2114   -0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6969    1.1163    0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9979   -0.9440    0.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9885   -0.8700   -1.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7179    1.1887    0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7062    1.2825   -0.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4593   -1.0484   -0.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923   -1.2238    0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2886    1.2437   -0.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2505    1.2362    0.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4504   -0.8353   -0.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6004   -0.8792   -0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5141   -0.9438    0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7734    0.8492    1.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8180    1.0653   -0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7376    1.2463    0.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8540    1.2762   -0.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0173   -1.1155   -0.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9630   -1.3524    0.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9083   -0.4154    0.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9876    0.0784    0.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 40  1  0  0  0  0
  2 16  1  0  0  0  0
  2 41  1  0  0  0  0
  3 16  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 13  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

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2026-04-13, 608👍, 0💬