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F5F : Summary
Code ![](/pdbe/static/images/help.png)
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F5F
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C15 H21 N O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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247.333 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
C[CH]1C[CH](C)[CH]([CH](C1)C=C)C2=C(O)C=CNC2=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1CC(C(C(C1)C=C)C2=C(C=CNC2=O)O)C |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H]1C[C@H](C)[C@H]([C@@H](C1)C=C)C2=C(O)C=CNC2=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CNC2=O)O)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H21NO2/c1-4-11-8-9(2)7-10(3)13(11)14-12(17)5-6-16-15(14)18/h4-6,9-11,13H,1,7-8H2,2-3H3,(H2,16,17,18)/t9-,10+,11-,13-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SWIJWROLKBJDFO-LSCVPOLPSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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39 (18 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2020-03-31
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Last modified at ![](/pdbe/static/images/help.png)
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2020-10-09
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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