Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

HBD : Summary

Code

HBD

One-letter code

X

Molecule name

4-HYDROXYBENZAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-hydroxybenzamide
OpenEye OEToolkits 1.5.0 4-hydroxybenzamide

Formula

C7 H7 N O2

Formal charge

0

Molecular weight

137.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c1ccc(O)cc1)N
SMILES CACTVS 3.341 NC(=O)c1ccc(O)cc1
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=O)N)O
Canonical SMILES CACTVS 3.341 NC(=O)c1ccc(O)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=O)N)O

IUPAC InChI

InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)

IUPAC InChI key

QXSAKPUBHTZHKW-UHFFFAOYSA-N
HBD

wwPDB Information

Atom count

17 (10 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