Chemical Components in the PDB

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EMDataBank
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EME : Summary

Code

EME

One-letter code

E

Molecule name

N-methyl-L-glutamic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 N-methyl-L-glutamic acid
OpenEye OEToolkits 1.7.6 (2S)-2-(methylamino)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(NC)CCC(=O)O
SMILES CACTVS 3.370 CN[CH](CCC(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CNC(CCC(=O)O)C(=O)O
Canonical SMILES CACTVS 3.370 CN[C@@H](CCC(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CN[C@@H](CCC(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

IUPAC InChI key

XLBVNMSMFQMKEY-BYPYZUCNSA-N
EME

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

2012-03-20

Last modified at

2012-05-11

Status

Released

Obsoleted

Not Assigned