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CHEBI:84641 - (Sp)-8-Br-cGMPS

ChEBI IDCHEBI:84641
ChEBI Name(Sp)-8-Br-cGMPS
Stars
ASCII Name(Sp)-8-Br-cGMPS
DefinitionA nucleoside 3',5'-cyclic phosphorothioate having 8-bromoguanine as the nucleobase (the Sp-stereoisomer).
Last Modified24 March 2015
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC10H11BrN5O6PS
Net Charge0
Average Mass440.172
Monoisotopic Mass438.93510
SMILESNc1nc(=O)c2nc(Br)n([C@@H]3O[C@@H]4CO[P@](=O)(S)O[C@H]4[C@H]3O)c2n1
InChIInChI=1S/C10H11BrN5O6PS/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(21-8)1-20-23(19,24)22-5/h2,4-5,8,17H,1H2,(H,19,24)(H3,12,14,15,18)/t2-,4-,5-,8-,23+/m1/s1
InChIKeyKRYIOQOBMVFLBO-JXGIQVKMSA-N
Roles Classification
Biological Role:
protein kinase agonist  An agonist that selectively binds to and activates a protein kinase receptor.
ChEBI Ontology
Outgoing Relation(s)
(Sp)-8-Br-cGMPS (CHEBI:84641) has functional parent 3',5'-cyclic GMP (CHEBI:16356)
(Sp)-8-Br-cGMPS (CHEBI:84641) has role protein kinase agonist (CHEBI:64106)
(Sp)-8-Br-cGMPS (CHEBI:84641) is a nucleoside 3',5'-cyclic phosphorothioate (CHEBI:85287)
(Sp)-8-Br-cGMPS (CHEBI:84641) is a organobromine compound (CHEBI:37141)
(Sp)-8-Br-cGMPS (CHEBI:84641) is a purines (CHEBI:26401)
IUPAC Name 
2-amino-8-bromo-9-[(2S,4aR,6R,7R,7aS)-7-hydroxy-2-oxo-2-sulfanyltetrahydro-2H,4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one
Synonyms  Source
8-bromo-Sp-cGMPSChEBI
Sp-8-Br-cGMPSChEBI
(Sp)-8-bromoguanosine-3',5'-cyclic monophosphorothioateChEBI
Citations