Chemical Components in the PDB

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OBZ : Summary

Code

OBZ

One-letter code

X

Molecule name

O-benzylhydroxylamine

Systematic names

ProgramVersionName
ACDLabs 10.04 O-benzylhydroxylamine
OpenEye OEToolkits 1.5.0 O-(phenylmethyl)hydroxylamine

Formula

C7 H9 N O

Formal charge

0

Molecular weight

123.152 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [(aminooxy)methyl]benzene
SMILES CACTVS 3.341 NOCc1ccccc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CON
Canonical SMILES CACTVS 3.341 NOCc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CON

IUPAC InChI

InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2

IUPAC InChI key

XYEOALKITRFCJJ-UHFFFAOYSA-N
OBZ

wwPDB Information

Atom count

18 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-07-23

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned