Chemical Components in the PDB

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MLY : Summary

Code

MLY

One-letter code

K

Molecule name

N-DIMETHYL-LYSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~6~,N~6~-dimethyl-L-lysine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-6-dimethylamino-hexanoic acid

Formula

C8 H18 N2 O2

Formal charge

0

Molecular weight

174.241 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCCN(C)C
SMILES CACTVS 3.341 CN(C)CCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CN(C)CCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CN(C)CCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CN(C)CCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1

IUPAC InChI key

XXEWFEBMSGLYBY-ZETCQYMHSA-N
MLY

wwPDB Information

Atom count

30 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned