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5PP : Summary
Code ![](/pdbe/static/images/help.png)
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5PP
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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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5-PENTYL-2-PHENOXYPHENOL
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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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C17 H20 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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256.339 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 |
10.04 |
O(c1ccccc1)c2ccc(cc2O)CCCCC |
SMILES
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CACTVS |
3.341 |
CCCCCc1ccc(Oc2ccccc2)c(O)c1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCc1ccc(c(c1)O)Oc2ccccc2 |
Canonical SMILES
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CACTVS |
3.341 |
CCCCCc1ccc(Oc2ccccc2)c(O)c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCc1ccc(c(c1)O)Oc2ccccc2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | OJLYTHOKCYLPMA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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39 (19 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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2005-10-05
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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