Molecule FYI-1015010

A

Molecule Summary:

ID: FYI-1015010
Names:
InChIKey: UQHDFDKHEOXHCC-KZNAEPCWSA-O
SMILES: CCCCCCCCCCCCC[C@]1(CO)[NH2+]C[C@@H](O)[C@H]1O

Received at FYIcenter.com on: 2025-06-13

Molecule ID: FYI-1015010 Edit

Molecule Structure InChIKey: UQHDFDKHEOXHCC-KZNAEPCWSA-O

Molecule Structure SMILES String: CCCCCCCCCCCCC[C@]1(CO)[NH2+]C[C@@H](O)[C@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015010
FYIcenter.com

 22 22  0  0  1  0  0  0  0  0999 V2000
   18.0641    3.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8458    2.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6275    3.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4092    2.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1910    3.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9727    2.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7544    3.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5361    2.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3179    3.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0996    2.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8813    3.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6630    2.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4447    3.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2265    2.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063    2.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5014    0.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414    3.5488    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7035    1.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1312    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795    1.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405    0.5676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 21 14  1  0  0  0  0
 21 22  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015010-3D
FYIcenter.com

 60 60  0  0  1  0  0  0  0  0999 V2000
    0.9623   -0.0061   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4802    0.0088   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0136    1.4337    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5377    1.4467    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610    2.8723    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5838    2.8892    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    4.3184    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6136    4.3440    0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1131    5.7770    0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6314    5.8007    0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1522    7.2260    0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    7.2013    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2605    8.6094    0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8043    8.6520    0.4370 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.3001    8.0369   -0.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7233    8.0211   -0.9873 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3956    7.8642    1.6004 N   0  3  0  0  0  0  0  0  0  0  0  0
   16.6065    8.5972    2.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7124    9.8965    1.3332 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7322    9.8654    0.3386 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3246   10.0809    0.7134 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.3405   10.8766   -0.4589 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6995    3.3377    1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6761    3.4709   -0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9509    2.4277   -0.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    2.2957    0.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7276    4.7803    1.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7044    4.9129   -0.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9837    3.8852   -0.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
$$$$

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2025-06-18, 1101👍, 0💬