CHEBI:43299 - 6-(3-hydroxypropyl)thymine

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ChEBI Name 6-(3-hydroxypropyl)thymine
ChEBI ID CHEBI:43299
Definition A pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 3-hydroxypropyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H12N2O3
Net Charge 0
Average Mass 184.19250
Monoisotopic Mass 184.08479
InChI InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13)
InChIKey OIEJBPVNLZZLGQ-UHFFFAOYSA-N
SMILES Cc1c(CCCO)[nH]c(=O)[nH]c1=O
ChEBI Ontology
Outgoing 6-(3-hydroxypropyl)thymine (CHEBI:43299) has functional parent thymine (CHEBI:17821)
6-(3-hydroxypropyl)thymine (CHEBI:43299) is a primary alcohol (CHEBI:15734)
6-(3-hydroxypropyl)thymine (CHEBI:43299) is a pyrimidone (CHEBI:38337)
IUPAC Name
6-(3-hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Synonym Source
6-HYDROXYPROPYLTHYMINE PDBeChem
Manual Xref Database
HPT PDBeChem
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Registry Number Type Source
6803473 Reaxys Registry Number Reaxys
Last Modified
02 August 2011