Search MNXref
 Feedback

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

PropertiesImage
MNX_IDMNXM149850 Image of MNXM149850
referencechebi:84621
formulaC11H12BrN4O5PS
global charge0
mol weight423.185
InChIKeyANYHLORLGDQOPM-IOIQHYAZSA-N
InChIInChI=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
SMILESNC1=C2C(Br)=CN([C@@H]3O[C@@H]4CO[P@](=O)(S)O[C@H]4[C@H]3O)C2=NC=N1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM149850
SMILES (mnx)[CH:1]1=[C:4]([Br:12])[C:6]2=[C:10]([N:15]=[CH:3][N:14]=[C:9]2[NH2:13])[N:16]1[C@H:11]1[C@H:7]([OH:17])[C@H:8]2[C@@H:5]([CH2:2][O:19][P@:22]([OH:18])(=[S:23])[O:21]2)[O:20]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84621
chebi:84621
ANYHLORLGDQOPM-IOIQHYAZSA-N 		(Sp)-7-bromo-7-deaza-cAMPS
(2S,4aR,6R,7R,7aS)-6-(4-amino-5-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
(Sp)-7-bromo-7-deazaadenosine-3',5'-cyclic monophosphorothioate
7-bromo-7-deaza-Sp-cAMPS
Sp-7-Br-7-CH-cAMPS