Chemical Components in the PDB

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MEG : Summary

Code

MEG

One-letter code

E

Molecule name

(2S,3S)-2-azanyl-3-methyl-pentanedioic acid

Synonyms

(3S)-3-methyl-L-glutamic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (3S)-3-methyl-L-glutamic acid
OpenEye OEToolkits 1.7.0 (2S,3S)-2-azanyl-3-methyl-pentanedioic acid

Formula

C6 H11 N O4

Formal charge

0

Molecular weight

161.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)C(CC(=O)O)C
SMILES CACTVS 3.370 C[CH](CC(O)=O)[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(CC(=O)O)C(C(=O)O)N
Canonical SMILES CACTVS 3.370 C[C@@H](CC(O)=O)[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C[C@@H](CC(=O)O)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5-/m0/s1

IUPAC InChI key

FHJNAFIJPFGZRI-UCORVYFPSA-N
MEG

wwPDB Information

Atom count

22 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLU

Defined at

2004-05-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned