Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

MIK : Summary

Code

MIK

One-letter code

X

Molecule name

METHYL ISONICOTINIMIDATE LYSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (Z)-N~6~-[amino(pyridin-4-yl)methylidene]-L-lysine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-6-[(amino-pyridin-4-yl-methylidene)amino]hexanoic acid

Formula

C12 H18 N4 O2

Formal charge

0

Molecular weight

250.297 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCC/N=C(/c1ccncc1)N
SMILES CACTVS 3.341 N[CH](CCCCN=C(N)c1ccncc1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cnccc1C(=NCCCCC(C(=O)O)N)N
Canonical SMILES CACTVS 3.341 N[C@@H](CCCCN=C(N)c1ccncc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cnccc1/C(=N/CCCC[C@@H](C(=O)O)N)/N

IUPAC InChI

InChI=1S/C12H18N4O2/c13-10(12(17)18)3-1-2-6-16-11(14)9-4-7-15-8-5-9/h4-5,7-8,10H,1-3,6,13H2,(H2,14,16)(H,17,18)/t10-/m0/s1

IUPAC InChI key

PJJTVLHYIWKZDX-JTQLQIEISA-N
MIK

wwPDB Information

Atom count

36 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-11-05

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned