CHEBI:84621 - (Sp)-7-bromo-7-deaza-cAMPS

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ChEBI Name (Sp)-7-bromo-7-deaza-cAMPS ChEBI ID CHEBI:84621 ChEBI ASCII Name (Sp)-7-bromo-7-deaza-cAMPS Definition A nucleoside 3',5'-cyclic phosphorothioate having 7-bromo-7-deazaadenine as the nucleobase (the Sp-stereoisomer). Stars This entity has been manually annotated by the ChEBI Team. Submitter Margaret Duesbury Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H12BrN4O5PS Net Charge 0 Average Mass 423.18000 Monoisotopic Mass 421.94494 InChI InChI=1S/C11H12BrN4O5PS/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-7(17)8-5(20-11)2-19-22(18,23)21-8/h1,3,5,7-8,11,17H,2H2,(H,18,23)(H2,13,14,15)/t5-,7-,8-,11-,22+/m1/s1 InChIKey ANYHLORLGDQOPM-IOIQHYAZSA-N SMILES Nc1ncnc2n(cc(Br)c12)[C@@H]1O[C@@H]2CO[P@@](S)(=O)O[C@H]2[C@H]1O ChEBI Ontology Outgoing (Sp)-7-bromo-7-deaza-cAMPS (CHEBI:84621) has functional parent tubercidin (CHEBI:48267) (Sp)-7-bromo-7-deaza-cAMPS (CHEBI:84621) is a N-glycosylpyrrolopyrimidine (CHEBI:48036) (Sp)-7-bromo-7-deaza-cAMPS (CHEBI:84621) is a nucleoside 3',5'-cyclic phosphorothioate (CHEBI:85287) (Sp)-7-bromo-7-deaza-cAMPS (CHEBI:84621) is a organobromine compound (CHEBI:37141) IUPAC Name (2S,4aR,6R,7R,7aS)-6-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2λ5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one Synonyms Sources (Sp)-7-bromo-7-deazaadenosine-3',5'-cyclic monophosphorothioate ChEBI 7-bromo-7-deaza-Sp-cAMPS ChEBI Sp-7-Br-7-CH-cAMPS ChEBI Citation Type Source 24605759 PubMed citation SUBMITTER Last Modified 23 March 2015