Terminology Service for NFDI4Health
JSON

(Sp)-8-bromo-7-deaza-cAMPS

Go to external page http://purl.obolibrary.org/obo/CHEBI_84620

A nucleoside 3',5'-cyclic phosphorothioate having 8-bromo-7-deazaadenine as the nucleobase (the Sp-stereoisomer).

Term info

Label

(Sp)-8-bromo-7-deaza-cAMPS

Synonyms
  • (2S,4aR,6R,7R,7aS)-6-(4-amino-6-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2lambda(5)-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S,4aR,6R,7R,7aS)-6-(4-amino-6-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2lambda(5)-furo[3,2-d][1,3,2]dioxaphosphinin-2-one [ IUPAC ]

charge

0

formula

C11H12BrN4O5PS

has obo namespace

chebi_ontology

has related synonym

8-bromo-7-deaza-Sp-cAMPS, Sp-8-Br-7-CH-cAMPS, (Sp)-8-bromo-7-deazaadenosine-3',5'-cyclic monophosphorothioate

id

CHEBI:84620

inchi

InChI=1S/C11H12BrN4O5PS/c12-6-1-4-9(13)14-3-15-10(4)16(6)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

OJTXRIQROSXWTR-IOIQHYAZSA-N

mass

423.18000

monoisotopicmass

421.94494

smiles

Nc1ncnc2n([C@@H]3O[C@@H]4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c(Br)cc12