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ChEBI
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CHEBI:189052 - carbovir diphosphate(3−)
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ChEBI Name
carbovir diphosphate(3−)
ChEBI ID
CHEBI:189052
ChEBI ASCII Name
carbovir diphosphate(3-)
Definition
An organophosphate oxoanion that is the trianion of carbovir diphosphate, arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C11H12N5O8P2
Net Charge
-3
Average Mass
404.193
Monoisotopic Mass
404.01776
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)
/p-
3/t6-
,7+/m1/s1
InChIKey
LBDJPXUIKREEKI-RQJHMYQMSA-K
SMILES
NC1=NC2=C(N=CN2[C@@H]2C[C@H](COP([O-])(=O)OP([O-])([O-])=O)C=C2)C(=O)N1
ChEBI Ontology
Outgoing
carbovir diphosphate(3−) (
CHEBI:189052
)
is a
organophosphate oxoanion (
CHEBI:58945
)
carbovir diphosphate(3−) (
CHEBI:189052
)
is conjugate base of
carbovir diphosphate (
CHEBI:64172
)
Incoming
carbovir diphosphate (
CHEBI:64172
)
is conjugate acid of
carbovir diphosphate(3−) (
CHEBI:189052
)
IUPAC Name
({[(1
S
,4
R
)-
4-
(2-
amino-
6-
oxo-
6,9-
dihydro-
1
H
-
purin-
9-
yl)cyclopent-
2-
en-
1-
yl]methylphosphonato}oxy)phosphonate
Synonyms
Sources
(−)-carbovir 5'-diphosphate trianion
ChEBI
(−)-carbovir diphosphate trianion
ChEBI
carbovir 5'-diphosphate trianion
ChEBI
carbovir diphosphate trianion
ChEBI
Last Modified
12 January 2022