cyclic N(6)-threonylcarbamoyladenosine

Properties Image MNX_ID MNXM104151 reference chebi:71559 formula C15H18N6O7 global charge 0 mol weight 394.344 InChIKey NIMLOKNRDJCYPO-DWVDDHQFSA-N InChI InChI=1S/C15H18N6O7/c1-5(23)7-14(26)28-15(19-7)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)27-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,16,17,19,20)/t5-,6-,7+,9-,10-,13-/m1/s1 SMILES C[C@@H](O)[C@@H]1N/C(=N\C2=NC=NC3=C2N=CN3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)OC1=O MNX internals InChI (mnx) InChI=1/C15H18N6O7/c1-5(23)7-14(26)28-15(19-7)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)27-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,16,17,19,20)/t5-,6-,7+,9-,10-,13-/m1/s1 SMILES (mnx) [CH3:1][C@H:5]([C@H:7]1[C:14](=[O:26])[O:28][C:15]([NH:20][C:11]2=[C:8]3[C:12](=[N:17][CH:3]=[N:16]2)[N:21]([C@H:13]2[C@H:10]([OH:25])[C@H:9]([OH:24])[C@@H:6]([CH2:2][OH:22])[O:27]2)[CH:4]=[N:18]3)=[N:19]1)[OH:23]

Parent-child relations graph

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