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

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ChEBI Name 7-deaza-8-chloro-cAMP
ChEBI ID CHEBI:84611
Definition A nucleoside 3',5'-cyclic phosphate that is 7-deaza-cAMP substituted at position 8 by a chloro group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information ZINC000230541072
Download Molfile XML SDF
Formula C11H12ClN4O6P
Net Charge 0
Average Mass 362.66300
Monoisotopic Mass 362.01830
InChI InChI=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
InChIKey OXPRCSNQDJNURK-IOSLPCCCSA-N
SMILES Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Cl)cc12
ChEBI Ontology
Outgoing 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 Sources
7-deaza-8-chloro-3',5'-cyclic AMP ChEBI
7-deaza-8-chloroadenosine cyclic 3',5'-phosphate ChEBI
8-Cl-7-CH-cAMP ChEBI
Citation
Last Modified
20 March 2015