Chemical Components in the PDB

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6ZX : Summary

Code

6ZX

One-letter code

X

Molecule name

(E)-3-(4-chlorophenyl)but-2-enoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 (E)-3-(4-chlorophenyl)but-2-enoic acid

Formula

C10 H9 Cl O2

Formal charge

0

Molecular weight

196.63 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=CC(O)=O)c1ccc(Cl)cc1
SMILES OpenEye OEToolkits 1.7.6 CC(=CC(=O)O)c1ccc(cc1)Cl
Canonical SMILES CACTVS 3.385 CC(=C/C(O)=O)\c1ccc(Cl)cc1
Canonical SMILES OpenEye OEToolkits 1.7.6 C/C(=C\C(=O)O)/c1ccc(cc1)Cl

IUPAC InChI

InChI=1S/C10H9ClO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)/b7-6+

IUPAC InChI key

SINDTVUVNPIJMY-VOTSOKGWSA-N
6ZX

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-10-28

Last modified at

2016-02-26

Status

Released

Obsoleted

Not Assigned