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CHEBI:84620 - (Sp)-8-bromo-7-deaza-cAMPS

ChEBI IDCHEBI:84620
ChEBI Name(Sp)-8-bromo-7-deaza-cAMPS
Stars
ASCII Name(Sp)-8-bromo-7-deaza-cAMPS
DefinitionA nucleoside 3',5'-cyclic phosphorothioate having 8-bromo-7-deazaadenine as the nucleobase (the Sp-stereoisomer).
Last Modified23 March 2015
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC11H12BrN4O5PS
Net Charge0
Average Mass423.185
Monoisotopic Mass421.94494
SMILESNc1ncnc2c1cc(Br)n2[C@@H]1O[C@@H]2CO[P@](=O)(S)O[C@H]2[C@H]1O
InChIInChI=1S/C11H12BrN4O5PS/c12-6-1-4-9(13)14-3-15-10(4)16(6)11-7(17)8-5(20-11)2-19-22(18,23)21-8/h1,3,5,7-8,11,17H,2H2,(H,18,23)(H2,13,14,15)/t5-,7-,8-,11-,22+/m1/s1
InChIKeyOJTXRIQROSXWTR-IOIQHYAZSA-N
ChEBI Ontology
Outgoing Relation(s)
(Sp)-8-bromo-7-deaza-cAMPS (CHEBI:84620) has functional parent tubercidin (CHEBI:48267)
(Sp)-8-bromo-7-deaza-cAMPS (CHEBI:84620) is a N-glycosylpyrrolopyrimidine (CHEBI:48036)
(Sp)-8-bromo-7-deaza-cAMPS (CHEBI:84620) is a nucleoside 3',5'-cyclic phosphorothioate (CHEBI:85287)
(Sp)-8-bromo-7-deaza-cAMPS (CHEBI:84620) is a organobromine compound (CHEBI:37141)
IUPAC Name 
(2S,4aR,6R,7R,7aS)-6-(4-amino-6-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
Synonyms  Source
Sp-8-Br-7-CH-cAMPSChEBI
8-bromo-7-deaza-Sp-cAMPSChEBI
(Sp)-8-bromo-7-deazaadenosine-3',5'-cyclic monophosphorothioateChEBI
Citations