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EH1 : Summary
Code ![](/pdbe/static/images/help.png)
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EH1
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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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4-cyclohexylbenzoic acid
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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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C13 H16 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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204.265 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 |
C1(CCCCC1)c2ccc(C(=O)O)cc2 |
SMILES
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CACTVS |
3.385 |
OC(=O)c1ccc(cc1)C2CCCCC2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1C2CCCCC2)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC(=O)c1ccc(cc1)C2CCCCC2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1C2CCCCC2)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QCIWHVKGVVQHIY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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31 (15 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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2018-01-10
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Last modified at ![](/pdbe/static/images/help.png)
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2019-01-11
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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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