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CHEBI:45366 - 6-{[(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl}thymine

ChEBI IDCHEBI:45366
ChEBI Name6-{[(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl}thymine
Stars
ASCII Name6-{[(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl}thymine
DefinitionA pyrimidone that is thymine which is substituted at position 6 by a [(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl group.
Last Modified1 August 2011
DownloadsMolfile
FormulaC12H16N4O5
Net Charge0
Average Mass296.283
Monoisotopic Mass296.11207
SMILESCc1c(C[C@@]2(C)C(=O)NC(=O)N[C@H]2CO)nc(=O)nc1=O
InChIInChI=1S/C12H16N4O5/c1-5-6(13-10(20)15-8(5)18)3-12(2)7(4-17)14-11(21)16-9(12)19/h7,17H,3-4H2,1-2H3,(H2,13,15,18,20)(H2,14,16,19,21)/t7-,12+/m0/s1
InChIKeyKBBKHMIEEMSXSM-JVXZTZIISA-N
ChEBI Ontology
Outgoing Relation(s)
6-{[(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl}thymine (CHEBI:45366) has functional parent thymine (CHEBI:17821)
6-{[(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl}thymine (CHEBI:45366) is a primary alcohol (CHEBI:15734)
6-{[(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl}thymine (CHEBI:45366) is a pyrimidone (CHEBI:38337)
IUPAC Name 
6-{[(4R,5R)-4-(hydroxymethyl)-5-methyl-2,6-dioxohexahydropyrimidin-5-yl]methyl}-5-methylpyrimidine-2,4(1H,3H)-dione
Synonym  Source
6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONEPDBeChem
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