CHEBI:41485 - 6-(1,3-dihydroxyisobutyl)thymine

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ChEBI Name 6-(1,3-dihydroxyisobutyl)thymine
ChEBI ID CHEBI:41485
Definition A pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 1,3-dihydroxyisobutyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H14N2O4
Net Charge 0
Average Mass 214.21850
Monoisotopic Mass 214.09536
InChI InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)
InChIKey CLCPDSJUXHDRGX-UHFFFAOYSA-N
SMILES Cc1c(CC(CO)CO)[nH]c(=O)[nH]c1=O
ChEBI Ontology
Outgoing 6-(1,3-dihydroxyisobutyl)thymine (CHEBI:41485) has functional parent thymine (CHEBI:17821)
6-(1,3-dihydroxyisobutyl)thymine (CHEBI:41485) is a pyrimidone (CHEBI:38337)
IUPAC Name
6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Synonyms Sources
6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE PDBeChem
6-[3-hydroxy-2-(hydroxymethyl)propyl]thymine ChEBI
DHBT ChEBI
Manual Xref Database
CCV PDBeChem
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Registry Number Type Source
9918195 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17193264 PubMed citation Europe PMC
Last Modified
02 August 2011