GGG

glycylglycylglycine

Created:	2009-06-09
Last modified:	2011-06-04

Find Related PDB Entry
4 entries where GGG is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	0

2D diagram of GGG

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	glycylglycylglycine
Systematic Name (OpenEye OEToolkits)	2-[2-(2-aminoethanoylamino)ethanoylamino]ethanoic acid
Formula	C₆ H₁₁ N₃ O₄
Molecular Weight	189.169
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NCC(=O)O)CNC(=O)CN
SMILES	CACTVS	3.341	NCC(=O)NCC(=O)NCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)NCC(=O)NCC(=O)O)N
Canonical SMILES	CACTVS	3.341	NCC(=O)NCC(=O)NCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)NCC(=O)NCC(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)
InChIKey	InChI	1.03	XKUKSGPZAADMRA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6994044, 11161
ChEMBL	CHEMBL54278
ChEBI	CHEBI:63961
CCDC/CSD	TGLYCY10, BIBRUZ, OJIWUC, ZZZPTQ01
COD	8000533

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.