CHEBI:16628 - methylguanidine

ChEBI IDCHEBI:16628
ChEBI Namemethylguanidine
Stars
DefinitionA guanidine in which one of the amino hydrogens of guanidine itself is substituted by a methyl group.
Secondary ChEBI IDsCHEBI:6876, CHEBI:14600, CHEBI:25304, CHEBI:43998
Last Modified25 September 2017
DownloadsMolfile
FormulaC2H7N3
Net Charge0
Average Mass73.099
Monoisotopic Mass73.06400
SMILESCNC(=N)N
InChIInChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)
InChIKeyCHJJGSNFBQVOTG-UHFFFAOYSA-N
Roles Classification
Biological Roles:
uremic toxin  A toxin that accumulates in patients with chronic kidney disease.
EC 1.14.13.39 (nitric oxide synthase) inhibitor  An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
methylguanidine (CHEBI:16628) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908)
methylguanidine (CHEBI:16628) has role metabolite (CHEBI:25212)
methylguanidine (CHEBI:16628) has role uremic toxin (CHEBI:64584)
methylguanidine (CHEBI:16628) is a guanidines (CHEBI:24436)
methylguanidine (CHEBI:16628) is conjugate base of methylguanidinium (CHEBI:57840)
Incoming Relation(s)
methylguanidinium (CHEBI:57840) is conjugate acid of methylguanidine (CHEBI:16628)
IUPAC Name 
1-methylguanidine
Synonyms  Source
1-METHYLGUANIDINEPDBeChem
N-methylguanidineNIST Chemistry WebBook
MethylguanidinChemIDplus
MethylguanidineKEGG COMPOUND
MGXHMDB
Monomethyl guanidinHMDB
Manual XrefsDatabases
C02294KEGG COMPOUND
CPD-593MetaCyc
HMDB0001522HMDB
MGXPDBeChem
PL391702Patent
Registry NumbersSources
Reaxys:1738993Reaxys
Gmelin:323399Gmelin
CAS:471-29-4ChemIDplus
CAS:471-29-4NIST Chemistry WebBook
CAS:471-29-4KEGG COMPOUND
Citations