Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

GEG : Summary

Code

GEG

One-letter code

X

Molecule name

(4E)-4-AMINOHEX-4-ENOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (4E)-4-aminohex-4-enoic acid
OpenEye OEToolkits 1.5.0 (E)-4-aminohex-4-enoic acid

Formula

C6 H11 N O2

Formal charge

0

Molecular weight

129.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCC(=C/C)\N
SMILES CACTVS 3.341 CC=C(N)CCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC=C(CCC(=O)O)N
Canonical SMILES CACTVS 3.341 C\C=C(N)/CCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C\C=C(/CCC(=O)O)\N

IUPAC InChI

InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2H,3-4,7H2,1H3,(H,8,9)/b5-2+

IUPAC InChI key

KQFBUAIXCIGKAP-GORDUTHDSA-N
GEG

wwPDB Information

Atom count

20 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-06-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned