Molecule FYI-1015625

A

Molecule Summary:

ID: FYI-1015625
Names:
InChIKey: BHGKGJTUJXHLTQ-MUVSODENSA-N
SMILES: O=C(O)[C@H]1O[C@H](OC(=O)CCCCC(S)CCS)[C@H](O)[C@@H](O)[C@@H]1O

Received at FYIcenter.com on: 2025-09-19

Molecule ID: FYI-1015625 Edit

Molecule Structure InChIKey: BHGKGJTUJXHLTQ-MUVSODENSA-N

Molecule Structure SMILES String: O=C(O)[C@H]1O[C@H](OC(=O)CCCCC(S)CCS)[C@H](O)[C@@H](O)[C@@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015625
FYIcenter.com

 24 24  0  0  1  0  0  0  0  0999 V2000
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9855    7.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2602    8.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3960    9.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6706   10.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8064   11.6383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3990    7.4581    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  6  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  1  0  0  0
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  7  8  1  1  0  0  0
  9  7  1  0  0  0  0
  9 10  1  6  0  0  0
 11  9  1  0  0  0  0
 11  3  1  0  0  0  0
 11 12  1  1  0  0  0
  2 13  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015625-3D
FYIcenter.com

 48 48  0  0  1  0  0  0  0  0999 V2000
    2.0941   -1.1968    4.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7990   -0.0557    3.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2891    0.8379    4.5962 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8998    0.5134    2.2922 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3757    1.8604    2.3453 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    2.5362    1.0791 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6366    1.8141    0.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4409    2.4612   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7543    3.6171   -0.1651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1886    1.5738   -1.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7216    0.3190   -0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4953   -0.5612   -1.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0145   -1.8249   -0.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8428   -2.7603   -1.8784 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8395   -3.3834   -3.2824 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3978   -3.9786   -1.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3742   -3.5821   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0240   -5.0507    0.8439 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8741    2.6502    0.5938 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9790    3.3912   -0.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4705    1.2424    0.4517 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8349    1.2923    0.0202 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513    0.4808    1.7886 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8236   -0.8575    1.6293 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0643    1.6694    4.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2373   -0.1012    1.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283    3.5467    1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8351   -0.8201   -2.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3409    0.0014   -2.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1744   -2.3771   -0.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6785   -2.1995   -2.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6744   -5.5680   -0.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4612    3.2007    1.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4077    2.9801   -1.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9526    0.6875   -0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2989    1.9940    0.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0133    0.9557    2.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4548   -1.2488    0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4  2  1  0  0  0  0
  4 26  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 27  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  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 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 43  1  1  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 45  1  6  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  1  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 282👍, 0💬