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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
ChEBI ID CHEBI:124936
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H15ClN5O6PS
Net Charge 0
Average Mass 471.814
Monoisotopic Mass 471.01692
InChI InChI=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
InChIKey AAZMHPMNAVEBRE-OXUWNYNTSA-N
SMILES C1[C@H]2[C@@H]([C@@H]([C@H](O2)N3C4=C(C(=NC=N4)N)N=C3SC5=CC=C(C=C5)Cl)O)OP(=O)(O1)O
ChEBI Ontology
Outgoing (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)
Manual Xref Database
LSM-36394 LINCS
View more database links