Chemical Components in the PDB

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CGU : Summary

Code

CGU

One-letter code

E

Molecule name

GAMMA-CARBOXY-GLUTAMIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (3S)-3-aminopropane-1,1,3-tricarboxylic acid
OpenEye OEToolkits 1.5.0 (3S)-3-aminopropane-1,1,3-tricarboxylic acid

Formula

C6 H9 N O6

Formal charge

0

Molecular weight

191.139 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1

IUPAC InChI key

UHBYWPGGCSDKFX-VKHMYHEASA-N
CGU

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLU

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned