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CHEBI:189052 - carbovir diphosphate(3−)

ChEBI IDCHEBI:189052
ChEBI Namecarbovir diphosphate(3−)
Stars
ASCII Namecarbovir diphosphate(3-)
DefinitionAn organophosphate oxoanion that is the trianion of carbovir diphosphate, arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.
Last Modified12 January 2022
SubmitterAdnan
DownloadsMolfile
FormulaC11H12N5O8P2
Net Charge-3
Average Mass404.192
Monoisotopic Mass404.01776
SMILESNc1nc(=O)c2ncn([C@H]3C=C[C@@H](COP(=O)([O-])OP(=O)([O-])[O-])C3)c2n1
InChIInChI=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
InChIKeyLBDJPXUIKREEKI-RQJHMYQMSA-K
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
carbovir diphosphate (CHEBI:64172) is conjugate acid of carbovir diphosphate(3−) (CHEBI:189052)
IUPAC Name 
({[(1S,4R)-4-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)cyclopent-2-en-1-yl]methylphosphonato}oxy)phosphonate
Synonyms  Source
(−)-carbovir 5'-diphosphate trianionChEBI
(−)-carbovir diphosphate trianionChEBI
carbovir 5'-diphosphate trianionChEBI
carbovir diphosphate trianionChEBI