CHEBI:17821 - thymine

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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 ChemicalBook:CB8197940, ChemicalBook:CB0197939, eMolecules:593675, ZINC000000049154
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Pyridoxine (PN) is a form of vitamin B6 found commonly in food and used as a dietary supplement. As a supplement it is used to treat and prevent pyridoxine deficiency, sideroblastic anaemia, pyridoxine-dependent epilepsy, certain metabolic disorders, side effects or complications of isoniazid use, and certain types of mushroom poisoning. It is used by mouth or by injection. It is usually well tolerated. Occasionally side effects include headache, numbness, and sleepiness. Normal doses are safe during pregnancy and breastfeeding. Pyridoxine is in the vitamin B family of vitamins. It is required by the body to metabolise amino acids, carbohydrates, and lipids. Sources in the diet include meat, fish, fruit, vegetables, and grain.
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Formula C5H6N2O2
Net Charge 0
Average Mass 126.11342
Monoisotopic Mass 126.04293
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 Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562) See: PubMed
Cordyceps sinensis (NCBI:txid72228) Found in mycelium (BTO:0001436). Ethanolic extract of dried mycelia See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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ChEBI Ontology
Outgoing 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 α-putrescinylthymine (CHEBI:132931) has functional parent thymine (CHEBI:17821)
(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-formyluracil (CHEBI:80961) 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)
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)
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
Manual Xrefs 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 Type Source
23237383 PubMed citation Europe PMC
Last Modified
12 December 2016