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CHEBI:41485 - 6-(1,3-dihydroxyisobutyl)thymine
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ChEBI Ontology
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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.
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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(1
H
,3
H
)-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
Type
Source
17193264
PubMed citation
Europe PMC
Last Modified
02 August 2011