Chemical Components in the PDB

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NLG : Summary

Code

NLG

One-letter code

X

Molecule name

N-ACETYL-L-GLUTAMATE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-acetyl-L-glutamic acid
OpenEye OEToolkits 1.5.0 (2S)-2-acetamidopentanedioic acid

Formula

C7 H11 N O5

Formal charge

0

Molecular weight

189.166 Da

SMILES

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

IUPAC InChI

InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1

IUPAC InChI key

RFMMMVDNIPUKGG-YFKPBYRVSA-N
NLG

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-12-28

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned