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

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ChEBI Name	6-{[(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl}thymine

ChEBI ID	CHEBI:45366

ChEBI ASCII Name	6-{[(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl}thymine

Definition	A pyrimidone that is thymine which is substituted at position 6 by a [(4R,5R)-4-(hydroxymethyl)thymin-5-yl]methyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C12H16N4O5

Net Charge

Average Mass

296.27920

Monoisotopic Mass

296.11207

InChI

InChI=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

InChIKey

KBBKHMIEEMSXSM-JVXZTZIISA-N

SMILES

Cc1c(C[C@]2(C)[C@H](CO)NC(=O)NC2=O)[nH]c(=O)[nH]c1=O

ChEBI Ontology
Outgoing	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)-DIONE	PDBeChem

Last Modified

01 August 2011