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
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
thymine (CHEBI:17821) has role Escherichia coli metabolite (CHEBI:76971)
thymine (CHEBI:17821) has role human metabolite (CHEBI:77746)
thymine (CHEBI:17821) has role mouse metabolite (CHEBI:75771)
thymine (CHEBI:17821) is a pyrimidine nucleobase (CHEBI:26432)
thymine (CHEBI:17821) is a pyrimidone (CHEBI:38337)
Incoming Relation(s)
(2-O,3-C-methylene-5-O-phosphonoarabinofuranosyl)thymine (CHEBI:46007) has functional parent thymine (CHEBI:17821)
(2-O,3-ethane-1,2-diyl-5-O-phosphonoarabinofuranosyl)thymine (CHEBI:45967) has functional parent thymine (CHEBI:17821)
[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(thymin-1-yl)cyclopentyl]methyl dihydrogen phosphate (CHEBI:45942) has functional parent thymine (CHEBI:17821)
[(1R,4S,6S)-6-hydroxy-4-(thymin-1-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate (CHEBI:43121) has functional parent thymine (CHEBI:17821)
N-[2-(methylamino)ethyl]-N-[(thymin-1-yl)acetyl]glycine (CHEBI:46063) has functional parent thymine (CHEBI:17821)
1-(2-O-methyl-5-O-phosphono-β-D-arabinofuranosyl)thymine (CHEBI:45953) has functional parent thymine (CHEBI:17821)
1-(2-deoxy-2-fluoro-5-O-phosphono-β-D-arabinofuranosyl)thymine (CHEBI:45806) has functional parent thymine (CHEBI:17821)
1-(2,3-dideoxy-6-O-phosphono-β-D-erythro-hexopyranosyl)thymine (CHEBI:46508) has functional parent thymine (CHEBI:17821)
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl]thymine (CHEBI:46026) has functional parent thymine (CHEBI:17821)
1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]thymine (CHEBI:45586) has functional parent thymine (CHEBI:17821)
1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine (CHEBI:43060) has functional parent thymine (CHEBI:17821)
5-formyluracil (CHEBI:80961) has functional parent thymine (CHEBI:17821)
5,6-dihydrothymine (CHEBI:27468) has functional parent thymine (CHEBI:17821)
6-(1,3-dihydroxyisobutyl)thymine (CHEBI:41485) has functional parent thymine (CHEBI:17821)
6-(3-hydroxypropyl)thymine (CHEBI:43299) has functional parent thymine (CHEBI:17821)
6-{[(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl}thymine (CHEBI:45366) has functional parent thymine (CHEBI:17821)
methylthymine (CHEBI:134101) has functional parent thymine (CHEBI:17821)
stavudine (CHEBI:63581) has functional parent thymine (CHEBI:17821)
telbivudine (CHEBI:63624) has functional parent thymine (CHEBI:17821)
thymidine (CHEBI:17748) has functional parent thymine (CHEBI:17821)
thymine glycol (CHEBI:29128) has functional parent thymine (CHEBI:17821)
α-putrescinylthymine (CHEBI:132931) has functional parent thymine (CHEBI:17821)
thymin-1-yl group (CHEBI:30757) is substituent group from thymine (CHEBI:17821)
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