8-(4-chlorophenylthio)-cGMP (CHEBI:84638)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84638 - 8-(4-chlorophenylthio)-cGMP

Take structure to advanced search

ChEBI ID	CHEBI:84638
ChEBI Name	8-(4-chlorophenylthio)-cGMP
Stars
Definition	A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic GMP in which the hydrogen at position 2 on the purine fragment is replaced by a 4-chlorophenylthio group.
Last Modified	17 February 2016
Submitter	Margaret Duesbury
Downloads	Molfile

Formula	C16H15ClN5O7PS
Net Charge	0
Average Mass	487.818
Monoisotopic Mass	487.01183
SMILES	Nc1nc(=O)c2nc(Sc3ccc(Cl)cc3)n([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2n1
InChI	InChI=1S/C16H15ClN5O7PS/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)/t8-,10-,11-,14-/m1/s1
InChIKey	ZDJHIEHUVPCEDK-IDTAVKCVSA-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)
	8-(4-chlorophenylthio)-cGMP (CHEBI:84638) has functional parent 3',5'-cyclic GMP (CHEBI:16356)
	8-(4-chlorophenylthio)-cGMP (CHEBI:84638) has role protein kinase agonist (CHEBI:64106)
	8-(4-chlorophenylthio)-cGMP (CHEBI:84638) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
	8-(4-chlorophenylthio)-cGMP (CHEBI:84638) is a aryl sulfide (CHEBI:35683)
	8-(4-chlorophenylthio)-cGMP (CHEBI:84638) is a organochlorine compound (CHEBI:36683)
	8-(4-chlorophenylthio)-cGMP (CHEBI:84638) is a ribonucleotide (CHEBI:26561)
	8-(4-chlorophenylthio)-cGMP (CHEBI:84638) is conjugate acid of 8-(4-chlorophenylthio)-cGMP(1−) (CHEBI:91239)
Incoming Relation(s)
Incoming Relation(s)	8-(4-chlorophenylthio)-cGMP(1−) (CHEBI:91239) is conjugate base of 8-(4-chlorophenylthio)-cGMP (CHEBI:84638)

IUPAC Name
2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one

Synonyms	Source
8-(4-chlorophenylthio)-3',5'-cyclic GMP	ChEBI
8-(4-chlorophenylthio)-cyclic GMP	ChEBI
8-pCPT-cGMP	ChEBI
8-(4-chlorophenylthio)guanosine 3',5'-cyclic monophosphate	ChEBI
8-(4-chlorophenylthio)guanosine 3',5'-cyclic phosphate	ChEBI
8-((4-Chlorophenyl)thio)cyclic-3',5'-GMP	ChemIDplus

Registry Numbers	Sources
Reaxys:1199328	Reaxys
CAS:54364-02-2	ChemIDplus

Citations