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CHEBI:91237 - 8-(4-chlorophenylthio)-cGMP·Na

ChEBI IDCHEBI:91237
ChEBI Name8-(4-chlorophenylthio)-cGMP·Na
Stars
ASCII Name8-(4-chlorophenylthio)-cGMP.Na
DefinitionAn organic sodium salt that is the monosodium salt of 8-(4-chlorophenylthio)-cGMP.
Last Modified17 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC16H14ClN5O7PS.Na
Net Charge0
Average Mass509.800
Monoisotopic Mass508.99378
SMILESNc1nc(=O)c2nc(Sc3ccc(Cl)cc3)n([C@@H]3O[C@@H]4COP(=O)([O-])O[C@H]4[C@H]3O)c2n1.[Na+]
InChIInChI=1S/C16H15ClN5O7PS.Na/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(28-14)5-27-30(25,26)29-11;/h1-4,8,10-11,14,23H,5H2,(H,25,26)(H3,18,20,21,24);/q;+1/p-1/t8-,10-,11-,14-;/m1./s1
InChIKeyREEQGIQRCDWDRA-ZBMQJGODSA-M
Roles Classification
Biological Role:
protein kinase agonist  An agonist that selectively binds to and activates a protein kinase receptor.
ChEBI Ontology
Outgoing Relation(s)
8-(4-chlorophenylthio)-cGMP·Na (CHEBI:91237) has part 8-(4-chlorophenylthio)-cGMP(1−) (CHEBI:91239)
8-(4-chlorophenylthio)-cGMP·Na (CHEBI:91237) has role protein kinase agonist (CHEBI:64106)
8-(4-chlorophenylthio)-cGMP·Na (CHEBI:91237) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (4aR,6R,7R,7aS)-6-{2-amino-8-[(4-chlorophenyl)sulfanyl]-6-oxo-1,6-dihydro-9H-purin-9-yl}-7-hydroxy-2-oxotetrahydro-2H,4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate
Synonyms  Source
8-pCPT-cGMP·NaChEBI
sodium 8-(4-chlorophenylthio)guanosine 3',5'-cyclic phosphateChEBI
8-(4-chlorophenylthio)-3',5'-cyclic GMP·NaChEBI
sodium 8-(4-chlorophenylthio)guanosine 3',5'-cyclic monophosphateChEBI