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CHEBI:39992 - 3-methylcytosine

ChEBI IDCHEBI:39992
ChEBI Name3-methylcytosine
Stars
DefinitionA pyrimidone that is cytosine in which the hydrogen attached to the nitrogen at position 3 is substituted by a methyl group.
Last Modified15 February 2018
DownloadsMolfile
FormulaC5H7N3O
Net Charge0
Average Mass125.131
Monoisotopic Mass125.05891
SMILESCn1c(N)ccnc1=O
InChIInChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,6H2,1H3
InChIKeyKOLPWZCZXAMXKS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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)
3-methylcytosine (CHEBI:39992) has functional parent cytosine (CHEBI:16040)
3-methylcytosine (CHEBI:39992) has role metabolite (CHEBI:25212)
3-methylcytosine (CHEBI:39992) is a aminopyrimidine (CHEBI:38338)
3-methylcytosine (CHEBI:39992) is a methylcytosine (CHEBI:134207)
3-methylcytosine (CHEBI:39992) is a pyrimidone (CHEBI:38337)
IUPAC Name 
6-amino-1-methylpyrimidin-2(1H)-one
Synonym  Source
N3-methylcytosineChEBI
UniProt Name  Source
3-methylcytosineUniProt
Manual XrefsDatabases
3MCPDBeChem
DB04103DrugBank
HMDB0011601HMDB
Registry NumbersSources
Reaxys:117790Reaxys
CAS:4776-08-3ChemIDplus
Citations