Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

GME : Summary

Code

GME

One-letter code

E

Molecule name

5-O-methyl-glutamic acid

Synonyms

(2S)-2-amino-5-methoxy-5-oxopentanoic acid

Systematic names

ProgramVersionName
ACDLabs 11.02 (2S)-2-amino-5-methoxy-5-oxopentanoic acid (non-preferred name)
OpenEye OEToolkits 1.6.1 (2S)-2-azanyl-5-methoxy-5-oxo-pentanoic acid

Formula

C6 H11 N O4

Formal charge

0

Molecular weight

161.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=C(OC)CCC(C(=O)O)N
SMILES CACTVS 3.352 COC(=O)CC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 COC(=O)CCC(C(=O)O)N
Canonical SMILES CACTVS 3.352 COC(=O)CC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 COC(=O)CC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1

IUPAC InChI key

ZGEYCCHDTIDZAE-BYPYZUCNSA-N
GME

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

2009-10-09

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned