Chemical Components in the PDB

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UNU : Summary

Code

UNU

One-letter code

X

Molecule name

BENZAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 benzamide
OpenEye OEToolkits 1.5.0 benzamide

Formula

C7 H7 N O

Formal charge

0

Molecular weight

121.137 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)c1ccccc1
SMILES CACTVS 3.341 NC(=O)c1ccccc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C(=O)N
Canonical SMILES CACTVS 3.341 NC(=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C(=O)N

IUPAC InChI

InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)

IUPAC InChI key

KXDAEFPNCMNJSK-UHFFFAOYSA-N
UNU

wwPDB Information

Atom count

16 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-04-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned