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CHEBI:64172 - carbovir diphosphate

ChEBI IDCHEBI:64172
ChEBI Namecarbovir diphosphate
Stars
DefinitionThe organic diphosphate that is the 5'-diphosphate of (−)-carbovir.
Last Modified12 January 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H15N5O8P2
Net Charge0
Average Mass407.216
Monoisotopic Mass407.03959
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)/t6-,7+/m1/s1
InChIKeyLBDJPXUIKREEKI-RQJHMYQMSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
carbovir diphosphate(3−) (CHEBI:189052) is conjugate base of carbovir diphosphate (CHEBI:64172)
IUPAC Name 
[(1S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)cyclopent-2-en-1-yl]methyl trihydrogen diphosphate
Synonyms  Source
(−)-carbovir diphosphateChEBI
(−)-carbovir 5'-diphosphateChEBI
carbovir 5'-diphosphateChEBI
Registry NumbersSources
Reaxys:10209637Reaxys
CAS:129895-89-2ChemIDplus
Citations