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CHEBI:84611 - 7-deaza-8-chloro-cAMP

ChEBI IDCHEBI:84611
ChEBI Name7-deaza-8-chloro-cAMP
Stars
DefinitionA nucleoside 3',5'-cyclic phosphate that is 7-deaza-cAMP substituted at position 8 by a chloro group.
Last Modified20 March 2015
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC11H12ClN4O6P
Net Charge0
Average Mass362.666
Monoisotopic Mass362.01830
SMILESNc1ncnc2c1cc(Cl)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O
InChIInChI=1S/C11H12ClN4O6P/c12-6-1-4-9(13)14-3-15-10(4)16(6)11-7(17)8-5(21-11)2-20-23(18,19)22-8/h1,3,5,7-8,11,17H,2H2,(H,18,19)(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
InChIKeyOXPRCSNQDJNURK-IOSLPCCCSA-N
ChEBI Ontology
Outgoing Relation(s)
7-deaza-8-chloro-cAMP (CHEBI:84611) has functional parent tubercidin (CHEBI:48267)
7-deaza-8-chloro-cAMP (CHEBI:84611) is a N-glycosylpyrrolopyrimidine (CHEBI:48036)
7-deaza-8-chloro-cAMP (CHEBI:84611) is a nucleoside 3',5'-cyclic phosphate (CHEBI:18375)
7-deaza-8-chloro-cAMP (CHEBI:84611) is a organochlorine compound (CHEBI:36683)
7-deaza-8-chloro-cAMP (CHEBI:84611) is a ribonucleotide (CHEBI:26561)
IUPAC Name 
(4aR,6R,7R,7aS)-6-(4-amino-6-chloro-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-deaza-8-chloroadenosine cyclic 3',5'-phosphateChEBI
8-Cl-7-CH-cAMPChEBI
7-deaza-8-chloro-3',5'-cyclic AMPChEBI
Citations