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CHEBI:84607 - 7-deaza-cAMP

ChEBI IDCHEBI:84607
ChEBI Name7-deaza-cAMP
Stars
DefinitionA nucleoside 3',5'-cyclic phosphate that is cAMP in which the nitrogen atom at position 7 on the purine fragment is replaced by a methine (C-H) group.
Last Modified20 March 2015
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC11H13N4O6P
Net Charge0
Average Mass328.221
Monoisotopic Mass328.05727
SMILESNc1ncnc2c1ccn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O
InChIInChI=1S/C11H13N4O6P/c12-9-5-1-2-15(10(5)14-4-13-9)11-7(16)8-6(20-11)3-19-22(17,18)21-8/h1-2,4,6-8,11,16H,3H2,(H,17,18)(H2,12,13,14)/t6-,7-,8-,11-/m1/s1
InChIKeyLCYHXWIEMRESTK-KCGFPETGSA-N
ChEBI Ontology
Outgoing Relation(s)
7-deaza-cAMP (CHEBI:84607) has functional parent tubercidin (CHEBI:48267)
7-deaza-cAMP (CHEBI:84607) is a N-glycosylpyrrolopyrimidine (CHEBI:48036)
7-deaza-cAMP (CHEBI:84607) is a nucleoside 3',5'-cyclic phosphate (CHEBI:18375)
7-deaza-cAMP (CHEBI:84607) is a ribonucleotide (CHEBI:26561)
IUPAC Name 
(4aR,6R,7R,7aS)-6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,7-dihydroxytetrahydro-2H,4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
Synonyms  Source
7-CH-cAMPChEBI
7-deazaadenosine cyclic 3',5'-phosphateChEBI
7-deaza-3',5'-cyclic AMPChEBI
Tubercidin 3',5'-cyclic phosphateChemIDplus
tubercidin 3',5'-cyclic monophosphateChEBI
Registry NumbersSources
Reaxys:1035612Reaxys
CAS:16719-36-1ChemIDplus
Citations