Chemical Components in the PDB

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MEQ : Summary

Code

MEQ

One-letter code

Q

Molecule name

N5-METHYLGLUTAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-methyl-L-glutamine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-5-methylamino-5-oxo-pentanoic acid

Formula

C6 H12 N2 O3

Formal charge

0

Molecular weight

160.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCC(=O)NC
SMILES CACTVS 3.341 CNC(=O)CC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CNC(=O)CCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CNC(=O)CC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CNC(=O)CC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C6H12N2O3/c1-8-5(9)3-2-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

IUPAC InChI key

ONXPDKGXOOORHB-BYPYZUCNSA-N
MEQ

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLN

Defined at

2003-02-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned