Chemical Components in the PDB

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0YF : Summary

Code

0YF

One-letter code

X

Molecule name

3-(biphenyl-4-yl)propanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 3-(biphenyl-4-yl)propanoic acid
OpenEye OEToolkits 1.7.6 3-(4-phenylphenyl)propanoic acid

Formula

C15 H14 O2

Formal charge

0

Molecular weight

226.27 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCc1ccc(cc1)c2ccccc2
SMILES CACTVS 3.370 OC(=O)CCc1ccc(cc1)c2ccccc2
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2ccc(cc2)CCC(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)CCc1ccc(cc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2ccc(cc2)CCC(=O)O

IUPAC InChI

InChI=1S/C15H14O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)

IUPAC InChI key

MVFHRQWYCXYYMU-UHFFFAOYSA-N

Is part of

EEF
0YF

wwPDB Information

Atom count

31 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-09-13

Last modified at

2012-09-13

Status

Released

Obsoleted

Not Assigned