Chemical Components in the PDB

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4BZ : Summary

Code

4BZ

One-letter code

X

Molecule name

4-(HYDROXYMETHYL)BENZAMIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-(hydroxymethyl)benzenecarboximidamide
OpenEye OEToolkits 1.5.0 4-(hydroxymethyl)benzenecarboximidamide

Formula

C8 H10 N2 O

Formal charge

0

Molecular weight

150.178 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCc1ccc(C(=[N@H])N)cc1
SMILES CACTVS 3.341 NC(=N)c1ccc(CO)cc1
SMILES OpenEye OEToolkits 1.5.0 [H]N=C(c1ccc(cc1)CO)N
Canonical SMILES CACTVS 3.341 NC(=N)c1ccc(CO)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 [H]/N=C(\c1ccc(cc1)CO)/N

IUPAC InChI

InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)

IUPAC InChI key

WHMKAFNJMLEDSN-UHFFFAOYSA-N
4BZ

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-01-26

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned