Chemical Components in the PDB

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TE8 : Summary

Code

TE8

One-letter code

X

Molecule name

(2~{R})-2-(4-phenylphenoxy)propanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R})-2-(4-phenylphenoxy)propanoic acid

Formula

C15 H14 O3

Formal charge

0

Molecular weight

242.27 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C(=O)O)Oc1ccc(cc1)c2ccccc2
Canonical SMILES CACTVS 3.385 C[C@@H](Oc1ccc(cc1)c2ccccc2)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H](C(=O)O)Oc1ccc(cc1)c2ccccc2

IUPAC InChI

InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m1/s1

IUPAC InChI key

FUPGQEMJIGUBGO-LLVKDONJSA-N
TE8

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

2020-12-21

Last modified at

2022-01-07

Status

Released

Obsoleted

Not Assigned