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CHEBI:84605 - N6-butyryl-cAMP

ChEBI IDCHEBI:84605
ChEBI NameN6-butyryl-cAMP
Stars
ASCII NameN(6)-butyryl-cAMP
DefinitionA 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the exocyclic amino group on the purine fragment is carrying a butyryl substituent.
Last Modified20 March 2015
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC14H18N5O7P
Net Charge0
Average Mass399.300
Monoisotopic Mass399.09438
SMILESCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O
InChIInChI=1S/C14H18N5O7P/c1-2-3-8(20)18-12-9-13(16-5-15-12)19(6-17-9)14-10(21)11-7(25-14)4-24-27(22,23)26-11/h5-7,10-11,14,21H,2-4H2,1H3,(H,22,23)(H,15,16,18,20)/t7-,10-,11-,14-/m1/s1
InChIKeyNVGDLMUKSMHEQT-FRJWGUMJSA-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)
N6-butyryl-cAMP (CHEBI:84605) has functional parent 3',5'-cyclic AMP (CHEBI:17489)
N6-butyryl-cAMP (CHEBI:84605) has role protein kinase agonist (CHEBI:64106)
N6-butyryl-cAMP (CHEBI:84605) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
N6-butyryl-cAMP (CHEBI:84605) is a adenyl ribonucleotide (CHEBI:61296)
N6-butyryl-cAMP (CHEBI:84605) is a butanamides (CHEBI:22965)
IUPAC Name 
N-{9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9H-purin-6-yl}butanamide
Synonyms  Source
6-MB-cAMPChEBI
N6-butanoyl-cAMPChEBI
Cyclic N6-monobutyryladenosine-3',5'-monophosphateChemIDplus
Monobutyryl adnosine cyclic 3',5'-monophosphateChemIDplus
Monobutyryl cyclic AMPChemIDplus
N6-Monobutyryl-cAMPChemIDplus
Registry NumbersSources
Reaxys:1054786Reaxys
CAS:13117-60-7ChemIDplus
Citations