Chemical Components in the PDB

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3MP : Summary

Code

3MP

One-letter code

X

Molecule name

3-METHYLPYRIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-methylpyridine
OpenEye OEToolkits 1.5.0 3-methylpyridine

Formula

C6 H7 N

Formal charge

0

Molecular weight

93.126 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1cccc(c1)C
SMILES CACTVS 3.341 Cc1cccnc1
SMILES OpenEye OEToolkits 1.5.0 Cc1cccnc1
Canonical SMILES CACTVS 3.341 Cc1cccnc1
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cccnc1

IUPAC InChI

InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3

IUPAC InChI key

ITQTTZVARXURQS-UHFFFAOYSA-N
3MP

wwPDB Information

Atom count

14 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned