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CHEBI:124936 - (4aS,6S,7S,7aR)-6-[6-amino-8-[(4-chlorophenyl)thio]-9-purinyl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol

ChEBI IDCHEBI:124936
ChEBI Name(4aS,6S,7S,7aR)-6-[6-amino-8-[(4-chlorophenyl)thio]-9-purinyl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol
Stars
DownloadsMolfile
FormulaC16H15ClN5O6PS
Net Charge0
Average Mass471.819
Monoisotopic Mass471.01692
SMILESNc1ncnc2c1nc(Sc1ccc(Cl)cc1)n2[C@H]1O[C@H]2COP(=O)(O)O[C@@H]2[C@@H]1O
InChIInChI=1S/C16H15ClN5O6PS/c17-7-1-3-8(4-2-7)30-16-21-10-13(18)19-6-20-14(10)22(16)15-11(23)12-9(27-15)5-26-29(24,25)28-12/h1-4,6,9,11-12,15,23H,5H2,(H,24,25)(H2,18,19,20)/t9-,11-,12-,15-/m0/s1
InChIKeyAAZMHPMNAVEBRE-OXUWNYNTSA-N
ChEBI Ontology
Outgoing Relation(s)
(4aS,6S,7S,7aR)-6-[6-amino-8-[(4-chlorophenyl)thio]-9-purinyl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol (CHEBI:124936) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
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