Chemical Components in the PDB

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8ZU : Summary

Code

8ZU

One-letter code

X

Molecule name

4-propylbenzoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-propylbenzoic acid

Formula

C10 H12 O2

Formal charge

0

Molecular weight

164.201 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCc1ccc(cc1)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 CCCc1ccc(cc1)C(=O)O
Canonical SMILES CACTVS 3.385 CCCc1ccc(cc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCc1ccc(cc1)C(=O)O

IUPAC InChI

InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)

IUPAC InChI key

ATZHGRNFEFVDDJ-UHFFFAOYSA-N
8ZU

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-11-15

Last modified at

2019-02-22

Status

Released

Obsoleted

Not Assigned