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ChEBI
> Main
CHEBI:46574 - wybutosine
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ChEBI Ontology
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ChEBI Name
wybutosine
ChEBI ID
CHEBI:46574
Definition
A nucleoside analogue having methyl (2
S
)-4-(4,6-dimethyl-9-oxo-4,9-dihydro-3
H
-imidazo[1,2-
a
]purin-7-yl)-2-[(methoxycarbonyl)amino]butanoate as the modified nucleobase.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C21H28N6O9
Net Charge
0
Average Mass
508.48180
Monoisotopic Mass
508.19178
InChI
InChI=1S/C21H28N6O9/c1-
9-
11(6-
5-
10(19(32)
34-
3)
24-
21(33)
35-
4)
27-
17(31)
13-
16(25(2)
20(27)
23-
9)
26(8-
22-
13)
18-
15(30)
14(29)
12(7-
28)
36-
18/h8,10,12,14-
15,18,28-
30H,5-
7H2,1-
4H3,(H,24,33)
/t10-
,12+,14+,15+,18+/m0/s1
InChIKey
QAOHCFGKCWTBGC-QHOAOGIMSA-N
SMILES
COC(=O)N[C@@H](CCc1c(C)nc2n(C)c3n(cnc3c(=O)n12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)OC
ChEBI Ontology
Outgoing
wybutosine (
CHEBI:46574
)
has functional parent
guanosine (
CHEBI:16750
)
wybutosine (
CHEBI:46574
)
is a
carbamate ester (
CHEBI:23003
)
wybutosine (
CHEBI:46574
)
is a
methyl ester (
CHEBI:25248
)
wybutosine (
CHEBI:46574
)
is a
nucleoside analogue (
CHEBI:60783
)
IUPAC Name
7-
{(3
S
)-
4-
methoxy-
3-
[(methoxycarbonyl)amino]-
4-
oxobutyl}-
4,6-
dimethyl-
3-
(β-
D
-
ribofuranosyl)-
3,4-
dihydro-
9
H
-
imidazo[1,2-
a
]purin-
9-
one
Synonym
Source
yw
ChEBI
Registry Number
Type
Source
4625655
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11964003
PubMed citation
Europe PMC
16005430
PubMed citation
Europe PMC
16642040
PubMed citation
Europe PMC
17150819
PubMed citation
Europe PMC
17727881
PubMed citation
Europe PMC
19287006
PubMed citation
Europe PMC
19717466
PubMed citation
Europe PMC
20382657
PubMed citation
Europe PMC
20423905
PubMed citation
Europe PMC
20972222
PubMed citation
Europe PMC
21670254
PubMed citation
Europe PMC
21917924
PubMed citation
Europe PMC
Last Modified
31 March 2015