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CHEBI:233462 - 8-((4-chlorophenyl)thio)cyclic-3',5'-AMP, monosodium salt

ChEBI IDCHEBI:233462
ChEBI Name8-((4-chlorophenyl)thio)cyclic-3',5'-AMP, monosodium salt
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SubmitterFlyBase
DownloadsMolfile
FormulaC16H14ClN5O6PS.Na
Net Charge0
Average Mass493.801
Monoisotopic Mass492.99886
SMILES[H][C@@]1(O)[C@]2([H])OP(=O)([O-])OC[C@@]2([H])O[C@@]1([H])n1c(Sc2ccc(Cl)cc2)nc2c(N)ncnc21.[Na+]
InChIInChI=1S/C16H15ClN5O6PS.Na/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);/q;+1/p-1/t9-,11-,12-,15-;/m1./s1
InChIKeyYIJFVHMIFGLKQL-DNBRLMRSSA-M
ChEBI Ontology
Outgoing Relation(s)
8-((4-chlorophenyl)thio)cyclic-3',5'-AMP, monosodium salt (CHEBI:233462) has part 8-(4-chlorophenylthio)-cAMP (CHEBI:84612)
8-((4-chlorophenyl)thio)cyclic-3',5'-AMP, monosodium salt (CHEBI:233462) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
IUPAC Name 
sodium;(4aR,6R,7R,7aS)-6-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Synonym  Source
8-CPT-cAMPSUBMITTER
Registry NumbersSources
CAS:93882-12-3SUBMITTER
Citations