MGX

1-METHYLGUANIDINE

Created:	2006-02-10
Last modified:	2011-06-04

Find Related PDB Entry
6 entries where MGX 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	12
Chiral Atom Count	0
Bond Count	11
Aromatic Bond Count	0

2D diagram of MGX

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-METHYLGUANIDINE
Systematic Name (OpenEye OEToolkits)	1-methylguanidine
Formula	C₂ H₇ N₃
Molecular Weight	73.097
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[N@H]=C(N)NC
SMILES	CACTVS	3.341	CNC(N)=N
SMILES	OpenEye OEToolkits	1.5.0	[H]N=C(N)NC
Canonical SMILES	CACTVS	3.341	CNC(N)=N
Canonical SMILES	OpenEye OEToolkits	1.5.0	[H]/N=C(/N)\NC
InChI	InChI	1.03	InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)
InChIKey	InChI	1.03	CHJJGSNFBQVOTG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10111, 5360658
ChEBI	CHEBI:16628
CCDC/CSD	FISVEJ, WOCDEX, VEMQEM, MGUANP10, MEGUHP10, GELCEG, HAJRUG, VESSIW, ZZZTRE01, GIPHES, KEFDUV, CUWROB, VESTAP, VESRUH, HECNIQ

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.