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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:64172 - carbovir diphosphate
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ChEBI Name
carbovir diphosphate
ChEBI ID
CHEBI:64172
Definition
The organic diphosphate that is the 5'-diphosphate of (−)-carbovir.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C11H15N5O8P2
Net Charge
0
Average Mass
407.21300
Monoisotopic Mass
407.03959
InChI
InChI=1S/C11H15N5O8P2/c12-
11-
14-
9-
8(10(17)
15-
11)
13-
5-
16(9)
7-
2-
1-
6(3-
7)
4-
23-
26(21,22)
24-
25(18,19)
20/h1-
2,5-
7H,3-
4H2,(H,21,22)
(H2,18,19,20)
(H3,12,14,15,17)
/t6-
,7+/m1/s1
InChIKey
LBDJPXUIKREEKI-RQJHMYQMSA-N
SMILES
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(O)=O)C=C1
ChEBI Ontology
Outgoing
carbovir diphosphate (
CHEBI:64172
)
has functional parent
(−)-carbovir (
CHEBI:421843
)
carbovir diphosphate (
CHEBI:64172
)
is a
organic diphosphate (
CHEBI:62889
)
carbovir diphosphate (
CHEBI:64172
)
is conjugate acid of
carbovir diphosphate(3−) (
CHEBI:189052
)
Incoming
carbovir diphosphate(3−) (
CHEBI:189052
)
is conjugate base of
carbovir diphosphate (
CHEBI:64172
)
IUPAC Name
[(1
S
,4
R
)-
4-
(2-
amino-
6-
oxo-
1,6-
dihydro-
9
H
-
purin-
9-
yl)cyclopent-
2-
en-
1-
yl]methyl trihydrogen diphosphate
Synonyms
Sources
(−)-carbovir 5'-diphosphate
ChEBI
(−)-carbovir diphosphate
ChEBI
carbovir 5'-diphosphate
ChEBI
Registry Numbers
Types
Sources
10209637
Reaxys Registry Number
Reaxys
129895-89-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11339272
PubMed citation
Europe PMC
1383219
PubMed citation
Europe PMC
14518039
PubMed citation
Europe PMC
27516475
PubMed citation
Europe PMC
Last Modified
12 January 2022