EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84598 - 2-(dimethylamino)-cAMP

ChEBI IDCHEBI:84598
ChEBI Name2-(dimethylamino)-cAMP
Stars
DefinitionA 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a dimethylamino group.
Last Modified20 March 2015
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC12H17N6O6P
Net Charge0
Average Mass372.278
Monoisotopic Mass372.09472
SMILESCN(C)c1nc(N)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2n1
InChIInChI=1S/C12H17N6O6P/c1-17(2)12-15-9(13)6-10(16-12)18(4-14-6)11-7(19)8-5(23-11)3-22-25(20,21)24-8/h4-5,7-8,11,19H,3H2,1-2H3,(H,20,21)(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
InChIKeyZFUMAUHEFAVXMU-IOSLPCCCSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-(dimethylamino)-cAMP (CHEBI:84598) has functional parent 3',5'-cyclic AMP (CHEBI:17489)
2-(dimethylamino)-cAMP (CHEBI:84598) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
2-(dimethylamino)-cAMP (CHEBI:84598) is a adenyl ribonucleotide (CHEBI:61296)
2-(dimethylamino)-cAMP (CHEBI:84598) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
(4aR,6R,7R,7aS)-6-[6-amino-2-(dimethylamino)-9H-purin-9-yl]-2,7-dihydroxytetrahydro-2H,4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
Synonyms  Source
2-(Me2N)-cAMPChEBI
2-(dimethylamino)adenosine cyclic 3',5'-phosphateChEBI
2-(dimethylamino)-3',5'-cyclic AMPChEBI
2-DMA-cAMPChEBI
Registry NumbersSources
Reaxys:943956Reaxys
Citations