Chemical Components in the PDB

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HPP : Summary

Code

HPP

One-letter code

X

Molecule name

HYDROXYPHENYL PROPIONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(4-hydroxyphenyl)propanoic acid
OpenEye OEToolkits 1.5.0 3-(4-hydroxyphenyl)propanoic acid

Formula

C9 H10 O3

Formal charge

0

Molecular weight

166.174 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCc1ccc(O)cc1
SMILES CACTVS 3.341 OC(=O)CCc1ccc(O)cc1
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1CCC(=O)O)O
Canonical SMILES CACTVS 3.341 OC(=O)CCc1ccc(O)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1CCC(=O)O)O

IUPAC InChI

InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)

IUPAC InChI key

NMHMNPHRMNGLLB-UHFFFAOYSA-N
HPP

wwPDB Information

Atom count

22 (12 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

2011-06-04

Status

Released

Obsoleted

Not Assigned