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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:29128 - thymine glycol
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ChEBI Ontology
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ChEBI Name
thymine glycol
ChEBI ID
CHEBI:29128
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This entity has been manually annotated by the ChEBI Team.
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Formula
C5H8N2O4
Net Charge
0
Average Mass
160.12810
Monoisotopic Mass
160.04841
InChI
InChI=1S/C5H8N2O4/c1-5(11)2(8)6-4(10)7-3(5)9/h2,8,11H,1H3,(H2,6,7,9,10)
InChIKey
GUKSGXOLJNWRLZ-UHFFFAOYSA-N
SMILES
CC1(O)C(O)NC(=O)NC1=O
ChEBI Ontology
Outgoing
thymine glycol (
CHEBI:29128
)
has functional parent
thymine (
CHEBI:17821
)
thymine glycol (
CHEBI:29128
)
is a
hydroxypyrimidine (
CHEBI:38340
)
IUPAC Name
5,6-dihydroxy-5-methyldihydropyrimidine-2,4(1
H
,3
H
)-dione
Synonym
Source
thymine glycol
ChemIDplus
Registry Number
Type
Source
2943-56-8
CAS Registry Number
ChemIDplus
Last Modified
12 September 2007