Chemical Components in the PDB

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BVG : Summary

Code

BVG

One-letter code

X

Molecule name

1H-IMIDAZOL-2-YLMETHANOL

Systematic names

ProgramVersionName
ACDLabs 10.04 1H-imidazol-2-ylmethanol
OpenEye OEToolkits 1.5.0 1H-imidazol-2-ylmethanol

Formula

C4 H6 N2 O

Formal charge

0

Molecular weight

98.103 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCc1nccn1
SMILES CACTVS 3.341 OCc1[nH]ccn1
SMILES OpenEye OEToolkits 1.5.0 c1cnc([nH]1)CO
Canonical SMILES CACTVS 3.341 OCc1[nH]ccn1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cnc([nH]1)CO

IUPAC InChI

InChI=1S/C4H6N2O/c7-3-4-5-1-2-6-4/h1-2,7H,3H2,(H,5,6)

IUPAC InChI key

ZOMATQMEHRJKLO-UHFFFAOYSA-N
BVG

wwPDB Information

Atom count

13 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-11-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned