Chemical Components in the PDB

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5UH : Summary

Code

5UH

One-letter code

X

Molecule name

2-(4-methoxy-3-phenyl-phenyl)ethanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 2-(4-methoxy-3-phenyl-phenyl)ethanoic acid

Formula

C15 H14 O3

Formal charge

0

Molecular weight

242.27 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(CC(O)=O)cc1c2ccccc2
SMILES OpenEye OEToolkits 2.0.4 COc1ccc(cc1c2ccccc2)CC(=O)O
Canonical SMILES CACTVS 3.385 COc1ccc(CC(O)=O)cc1c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.4 COc1ccc(cc1c2ccccc2)CC(=O)O

IUPAC InChI

InChI=1S/C15H14O3/c1-18-14-8-7-11(10-15(16)17)9-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)

IUPAC InChI key

JHXCUSZPZNECKH-UHFFFAOYSA-N
5UH

wwPDB Information

Atom count

32 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-12-03

Last modified at

2016-02-19

Status

Released

Obsoleted

Not Assigned