Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:134100 -
O
4
-methylthymine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
O
4
-methylthymine
ChEBI ID
CHEBI:134100
ChEBI ASCII Name
O(4)-methylthymine
Definition
A methylthymine in which the methyl group is located at the O4-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C6H8N2O2
Net Charge
0
Average Mass
140.140
Monoisotopic Mass
140.05858
InChI
InChI=1S/C6H8N2O2/c1-4-3-7-6(9)8-5(4)10-2/h3H,1-2H3,(H,7,8,9)
InChIKey
NWUTZAVMDAGNIG-UHFFFAOYSA-N
SMILES
C=1(C(=CNC(N1)=O)C)OC
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
O
4
-methylthymine (
CHEBI:134100
)
has role
human metabolite (
CHEBI:77746
)
O
4
-methylthymine (
CHEBI:134100
)
is a
aromatic ether (
CHEBI:35618
)
O
4
-methylthymine (
CHEBI:134100
)
is a
methylthymine (
CHEBI:134101
)
IUPAC Name
4-methoxy-5-methylpyrimidin-2(1
H
)-one
Synonyms
Sources
4-methoxy-5-methylpyrimidin-2-one
ChEBI
O-4-Methylthymine
ChemIDplus
Registry Numbers
Types
Sources
123950
Reaxys Registry Number
Reaxys
25902-89-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10508414
PubMed citation
Europe PMC
10874019
PubMed citation
Europe PMC
11453737
PubMed citation
Europe PMC
18413724
PubMed citation
Europe PMC
20026607
PubMed citation
Europe PMC
23564326
PubMed citation
Europe PMC
Last Modified
12 December 2016