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9Y6 : Summary
Code ![](/pdbe/static/images/help.png)
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9Y6
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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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(2E)-3-phenylprop-2-enal
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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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C9 H8 O
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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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132.159 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c1cccc(c1)C=[C@H]C=O |
SMILES
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CACTVS |
3.385 |
O=CC=Cc1ccccc1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)C=CC=O |
Canonical SMILES
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CACTVS |
3.385 |
O=C/C=C/c1ccccc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)/C=C/C=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KJPRLNWUNMBNBZ-QPJJXVBHSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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18 (10 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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2018-08-29
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-01
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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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