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

Default Structure
ChEBI IDCHEBI:41485
ChEBI Name6-(1,3-dihydroxyisobutyl)thymine
Stars
DefinitionA pyrimidone that is thymine in which the hydrogen at position 6 is substituted by a 1,3-dihydroxyisobutyl group.
Last Modified2 August 2011
DownloadsMolfile
FormulaC9H14N2O4
Net Charge0
Average Mass214.221
Monoisotopic Mass214.09536
SMILESCc1c(CC(CO)CO)nc(=O)nc1=O
InChIInChI=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)
InChIKeyCLCPDSJUXHDRGX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONEPDBeChem
6-[3-hydroxy-2-(hydroxymethyl)propyl]thymineChEBI
DHBTChEBI
Manual XrefsDatabases
CCVPDBeChem
Registry NumbersSources
Reaxys:9918195Reaxys
Citations