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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:39992 - 3-methylcytosine
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ChEBI Ontology
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ChEBI Name
3-methylcytosine
ChEBI ID
CHEBI:39992
Definition
A pyrimidone that is cytosine in which the hydrogen attached to the nitrogen at position 3 is substituted by a methyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C5H7N3O
Net Charge
0
Average Mass
125.12860
Monoisotopic Mass
125.05891
InChI
InChI=1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,6H2,1H3
InChIKey
KOLPWZCZXAMXKS-UHFFFAOYSA-N
SMILES
Cn1c(N)ccnc1=O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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(1
H
)-one
Synonyms
Sources
3-methylcytosine
UniProt
N3-methylcytosine
ChEBI
Manual Xrefs
Databases
3MC
PDBeChem
DB04103
DrugBank
HMDB0011601
HMDB
View more database links
Registry Numbers
Types
Sources
117790
Reaxys Registry Number
Reaxys
4776-08-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
17112791
PubMed citation
Europe PMC
17396151
PubMed citation
Europe PMC
22770225
PubMed citation
Europe PMC
Last Modified
15 February 2018