2-GDP-(2S,3S,6R)-3-hydroxy-5-amino-6-methyl-3,6-dihydro-2H-pyran

Properties Image MNX_ID MNXM1100810 reference chebi:131636 formula C16H22N6O13P2 global charge -2 mol weight 568.329 InChIKey BUODSFMRSSLUIZ-FFJBUIDMSA-L InChI InChI=1S/C16H24N6O13P2/c1-5-6(17)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)22-4-19-9-12(22)20-16(18)21-13(9)26/h2,4-5,7-8,10-11,14-15,23-25H,3,17H2,1H3,(H,27,28)(H,29,30)(H3,18,20,21,26)/p-2/t5-,7+,8-,10-,11-,14-,15-/m1/s1 SMILES C[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)[C@@H](O)C=C1N MNX internals InChI (mnx) InChI=1/C16H24N6O13P2/c1-5-6(17)2-7(23)15(32-5)34-37(29,30)35-36(27,28)31-3-8-10(24)11(25)14(33-8)22-4-19-9-12(22)20-16(18)21-13(9)26/h2,4-5,7-8,10-11,14-15,23-25H,3,17H2,1H3,(H,27,28)(H,29,30)(H3,18,20,21,26)/t5-,7+,8-,10-,11-,14-,15-/m1/s1 SMILES (mnx) [CH3:1][C@@H:5]1[C:6]([NH2:17])=[CH:2][C@H:7]([OH:23])[C@@H:15]([O:34][P:37]([OH:29])(=[O:30])[O:35][P:36]([OH:27])(=[O:28])[O:31][CH2:3][C@@H:8]2[C@@H:10]([OH:24])[C@@H:11]([OH:25])[C@H:14]([N:22]3[CH:4]=[N:19][C:9]4=[C:12]3[NH:20][C:16](=[NH:18])[N:21]=[C:13]4[OH:26])[O:33]2)[O:32]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0