Chemical Components in the PDB

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2MN : Summary

Code

2MN

One-letter code

X

Molecule name

2-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL)ETHANOL

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol
OpenEye OEToolkits 1.5.0 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol

Formula

C6 H9 N3 O3

Formal charge

0

Molecular weight

171.154 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-][N+](=O)c1cnc(n1CCO)C
SMILES CACTVS 3.341 Cc1ncc(n1CCO)[N+]([O-])=O
SMILES OpenEye OEToolkits 1.5.0 Cc1ncc(n1CCO)[N+](=O)[O-]
Canonical SMILES CACTVS 3.341 Cc1ncc(n1CCO)[N+]([O-])=O
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1ncc(n1CCO)[N+](=O)[O-]

IUPAC InChI

InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3

IUPAC InChI key

VAOCPAMSLUNLGC-UHFFFAOYSA-N
2MN

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-07-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned