EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17821 - thymine

ChEBI IDCHEBI:17821
ChEBI Namethymine
Stars
DefinitionA pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group.
Secondary ChEBI IDsCHEBI:9580, CHEBI:15247, CHEBI:27004, CHEBI:46017
Last Modified12 December 2016
DownloadsMolfile

FormulaC5H6N2O2
Net Charge0
Average Mass126.115
Monoisotopic Mass126.04293
SMILESCc1cnc(=O)nc1=O
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Cordyceps sinensis (ncbitaxon:72228) mycelium (BTO:0001436) PubMed (21848266) Ethanolic extract of dried mycelia
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification

ChEBI Ontology
IUPAC Name 
thymine
Synonyms  Source
ThymineKEGG COMPOUND
TChEBI
5-methylpyrimidine-2,4(1H,3H)-dioneIUPAC
5-methyluracilNIST Chemistry WebBook
THYMINEPDBeChem
5-methyl-2,4(1H,3H)-pyrimidinedioneNIST Chemistry WebBook
UniProt Name  Source
thymineUniProt
Manual XrefsDatabases
C00178KEGG COMPOUND
C00178KEGG COMPOUND
TDRPDBeChem
DB03462DrugBank
ThymineWikipedia
C00001511KNApSAcK
Registry NumbersSources
Gmelin:278790Gmelin
Beilstein:607626Beilstein
CAS:65-71-4KEGG COMPOUND
CAS:65-71-4ChemIDplus
CAS:65-71-4NIST Chemistry WebBook
Citations