Chemical Components in the PDB

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5PV : Summary

Code

5PV

One-letter code

X

Molecule name

5-PHENYLVALERIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 5-phenylpentanoic acid
OpenEye OEToolkits 1.5.0 5-phenylpentanoic acid

Formula

C11 H14 O2

Formal charge

0

Molecular weight

178.228 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCCCc1ccccc1
SMILES CACTVS 3.341 OC(=O)CCCCc1ccccc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CCCCC(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)CCCCc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CCCCC(=O)O

IUPAC InChI

InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)

IUPAC InChI key

BYHDDXPKOZIZRV-UHFFFAOYSA-N
5PV

wwPDB Information

Atom count

27 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned