2-(dimethylamino)-cAMP

Properties Image MNX_ID MNXM150450 reference chebi:84598 formula C12H17N6O6P global charge 0 mol weight 372.278 InChIKey ZFUMAUHEFAVXMU-IOSLPCCCSA-N InChI InChI=1S/C12H17N6O6P/c1-17(2)12-15-9(13)6-10(16-12)18(4-14-6)11-7(19)8-5(23-11)3-22-25(20,21)24-8/h4-5,7-8,11,19H,3H2,1-2H3,(H,20,21)(H2,13,15,16)/t5-,7-,8-,11-/m1/s1 SMILES CN(C)C1=NC(N)=C2N=CN([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)C2=N1 MNX internals InChI (mnx) InChI=1/C12H17N6O6P/c1-17(2)12-15-9(13)6-10(16-12)18(4-14-6)11-7(19)8-5(23-11)3-22-25(20,21)24-8/h4-5,7-8,11,19H,3H2,1-2H3,(H,20,21)(H2,13,15,16)/t5-,7-,8-,11-/m1/s1 SMILES (mnx) [CH3:1][N:17]([CH3:2])[C:12]1=[N:16][C:10]2=[C:6]([C:9]([NH2:13])=[N:15]1)[N:14]=[CH:4][N:18]2[C@H:11]1[C@H:7]([OH:19])[C@H:8]2[C@@H:5]([CH2:3][O:22][P:25]([OH:20])(=[O:21])[O:24]2)[O:23]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0