Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

OHP : Summary

Code

OHP

One-letter code

X

Molecule name

(2-HYDROXYPHENYL)ACETIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2-hydroxyphenyl)acetic acid
OpenEye OEToolkits 1.5.0 2-(2-hydroxyphenyl)ethanoic acid

Formula

C8 H8 O3

Formal charge

0

Molecular weight

152.147 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)Cc1ccccc1O
SMILES CACTVS 3.341 OC(=O)Cc1ccccc1O
SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)CC(=O)O)O
Canonical SMILES CACTVS 3.341 OC(=O)Cc1ccccc1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)CC(=O)O)O

IUPAC InChI

InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)

IUPAC InChI key

CCVYRRGZDBSHFU-UHFFFAOYSA-N
OHP

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-10-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned