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CHEBI:84613 - 8-(6-aminohexylamino)-cAMP

ChEBI IDCHEBI:84613
ChEBI Name8-(6-aminohexylamino)-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 6-aminohexylamino group.
Secondary ChEBI IDCHEBI:64403
Last Modified15 January 2020
Submitterjyoti.khadake, Margaret Duesbury
DownloadsMolfile
FormulaC16H26N7O6P
Net Charge0
Average Mass443.401
Monoisotopic Mass443.16822
SMILESNCCCCCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O
InChIInChI=1S/C16H26N7O6P/c17-5-3-1-2-4-6-19-16-22-10-13(18)20-8-21-14(10)23(16)15-11(24)12-9(28-15)7-27-30(25,26)29-12/h8-9,11-12,15,24H,1-7,17H2,(H,19,22)(H,25,26)(H2,18,20,21)/t9-,11-,12-,15-/m1/s1
InChIKeyWCWLOZYNRVLFOG-SDBHATRESA-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)
8-(6-aminohexylamino)-cAMP (CHEBI:84613) has functional parent 3',5'-cyclic AMP (CHEBI:17489)
8-(6-aminohexylamino)-cAMP (CHEBI:84613) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
8-(6-aminohexylamino)-cAMP (CHEBI:84613) is a adenyl ribonucleotide (CHEBI:61296)
8-(6-aminohexylamino)-cAMP (CHEBI:84613) is a primary amino compound (CHEBI:50994)
8-(6-aminohexylamino)-cAMP (CHEBI:84613) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
(4aR,6R,7R,7aS)-6-{6-amino-8-[(6-aminohexyl)amino]-9H-purin-9-yl}-2,7-dihydroxytetrahydro-2H,4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
Synonyms  Source
8-(6-aminohexylamino)adenosine-3,5-cyclic monophosphateChEBI
8-(6-aminohexylamino)adenosine 3',5'-cyclic monophosphateChEBI
8-(6-aminohexylamino)adenosine-3',5'-cyclic monophosphateChEBI
8-(6-aminohexylamino)adenosine 3',5'-(cyclic)phosphateJCBN
8-(6-aminohexylamino)adenosine 3',5'-(hydrogen phosphate)ChEBI
8-(6-aminohexylamino)adenosine cyclic 3',5'-phosphateChEBI
Registry NumbersSources
Reaxys:1195802Reaxys
CAS:39824-30-1ChemIDplus
Citations