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ChEBI
> Main
CHEBI:39579 - 5-benzyloxybenzylacyclouridine
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ChEBI Name
5-benzyloxybenzylacyclouridine
ChEBI ID
CHEBI:39579
Definition
A benzyl ether that consists of acyclouridine bearing a 3-(benzyloxy)benzyl substituent at position 5.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H22N2O5
Net Charge
0
Average Mass
382.40980
Monoisotopic Mass
382.15287
InChI
InChI=1S/C21H22N2O5/c24-
9-
10-
27-
15-
23-
13-
18(20(25)
22-
21(23)
26)
11-
17-
7-
4-
8-
19(12-
17)
28-
14-
16-
5-
2-
1-
3-
6-
16/h1-
8,12-
13,24H,9-
11,14-
15H2,(H,22,25,26)
InChIKey
CSXNPJKDZKLDET-UHFFFAOYSA-N
SMILES
OCCOCn1cc(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
ChEBI Ontology
Outgoing
5-benzyloxybenzylacyclouridine (
CHEBI:39579
)
has functional parent
uracil (
CHEBI:17568
)
5-benzyloxybenzylacyclouridine (
CHEBI:39579
)
is a
benzyl ether (
CHEBI:59859
)
5-benzyloxybenzylacyclouridine (
CHEBI:39579
)
is a
hydroxyether (
CHEBI:46789
)
5-benzyloxybenzylacyclouridine (
CHEBI:39579
)
is a
primary alcohol (
CHEBI:15734
)
IUPAC Name
5-[3-(benzyloxy)benzyl]-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1
H
,3
H
)-dione
Synonyms
Sources
1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE
PDBeChem
5-(benzyloxybenzyl)acyclouridine
ChEBI
5-(
m
-benzyloxybenzyl)-1-(2'-hydroxyethoxymethyl)uracil
ChemIDplus
5-Bbau
ChemIDplus
BBAU
ChEBI
Manual Xref
Database
183
PDBeChem
View more database links
Registry Numbers
Types
Sources
4581951
Reaxys Registry Number
Reaxys
82857-75-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
6231986
PubMed citation
Europe PMC
6744292
PubMed citation
Europe PMC
7104017
PubMed citation
Europe PMC
Last Modified
16 April 2012