5O6

(~{E})-3-(4-methoxyphenyl)but-2-enoic acid

Created:	2015-10-29
Last modified:	2016-03-02

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2 entries where 5O6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of 5O6

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Chemical Component Summary
Name	(~{E})-3-(4-methoxyphenyl)but-2-enoic acid
Systematic Name (OpenEye OEToolkits)	(~{E})-3-(4-methoxyphenyl)but-2-enoic acid
Formula	C₁₁ H₁₂ O₃
Molecular Weight	192.211
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(cc1)C(C)=CC(O)=O
SMILES	OpenEye OEToolkits	2.0.4	CC(=CC(=O)O)c1ccc(cc1)OC
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)\C(C)=C\C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	C/C(=C\C(=O)O)/c1ccc(cc1)OC
InChI	InChI	1.03	InChI=1S/C11H12O3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)/b8-7+
InChIKey	InChI	1.03	FUINODAYLGQWJL-BQYQJAHWSA-N

Related Resource References

Resource Name	Reference
PubChem	5375261

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.