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thymine (CHEBI:17821)

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ChEBI Name thymine
ChEBI ID CHEBI:17821
Definition A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46017, CHEBI:9580, CHEBI:15247, CHEBI:27004
Supplier Information
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Formula Source
C5H6N2O2 KEGG COMPOUND
Net Charge 0
Average Mass 126.11342
InChI
InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKey
RWQNBRDOKXIBIV-UHFFFAOYSA-N
SMILES
Cc1c[nH]c(=O)[nH]c1=O
Metabolite of Species Sources
Isolated from Cordyceps sinensis (NCBI:72228) found in mycelium (BTO:0001436). Ethanolic extract of dried mycelia PubMed
Isolated from Homo sapiens (NCBI:9606) DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing thymine (CHEBI:17821) has role human metabolite (CHEBI:77746)
thymine (CHEBI:17821) has role metabolite (CHEBI:25212)
thymine (CHEBI:17821) is a pyrimidine nucleobase (CHEBI:26432)
thymine (CHEBI:17821) is a pyrimidone (CHEBI:38337)
Incoming (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)
1-(2,3-dideoxy-6-O-phosphono-β-D-erythro-hexopyranosyl)thymine (CHEBI:46508) 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-[(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)
5,6-dihydrothymine (CHEBI:27468) has functional parent thymine (CHEBI:17821)
5-hydroxymethyl-2'-deoxyuridine (CHEBI:61288) 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)
N-[2-(methylamino)ethyl]-N-[(thymin-1-yl)acetyl]glycine (CHEBI:46063) 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)
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)
thymin-1-yl group (CHEBI:30757) is substituent group from thymine (CHEBI:17821)
IUPAC Name
thymine
Synonyms Sources
2,4-dihydroxy-5-methylpyrimidine NIST Chemistry WebBook
5-methyl-2,4(1H,3H)-pyrimidinedione NIST Chemistry WebBook
5-methylpyrimidine-2,4(1H,3H)-dione IUPAC
5-Methyluracil KEGG COMPOUND
5-methyluracil NIST Chemistry WebBook
T ChEBI
Thy CBN
Thymin ChemIDplus
Thymine KEGG COMPOUND
THYMINE PDBeChem
thymine UniProt
Database Links Databases
C00001511 KNApSAcK
C00178 KEGG COMPOUND
DB03462 DrugBank
TDR PDBeChem
Thymine Wikipedia
View more database links
Registry Numbers Types Sources
278790 Gmelin Registry Number Gmelin
607626 Beilstein Registry Number Beilstein
65-71-4 CAS Registry Number KEGG COMPOUND
65-71-4 CAS Registry Number ChemIDplus
65-71-4 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
23237383 PubMed citation CiteXplore
Last Modified
18 August 2014

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