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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 No supplier information found for this compound.
Download Molfile XML SDF
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-5-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 Waiting for Citations Type Source
24605759 PubMed citation SUBMITTER
Last Modified
23 March 2015