Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

M3L : Summary

Code

M3L

One-letter code

K

Molecule name

N-TRIMETHYLLYSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium
OpenEye OEToolkits 1.5.0 [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium

Formula

C9 H21 N2 O2

Formal charge

1

Molecular weight

189.275 Da

SMILES

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

IUPAC InChI

InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1

IUPAC InChI key

MXNRLFUSFKVQSK-QMMMGPOBSA-O
M3L

wwPDB Information

Atom count

34 (13 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

2023-11-03

Status

Released

Obsoleted

Not Assigned