3-ADP-glycerate

Properties Image MNX_ID MNXM4324 reference chebi:57800 formula C13H16N5O13P2 global charge -3 mol weight 512.241 InChIKey APVQTUURIRQYIT-NRJACJQQSA-K InChI InChI=1S/C13H19N5O13P2/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(21)8(20)6(30-12)2-29-33(26,27)31-32(24,25)28-1-5(19)13(22)23/h3-6,8-9,12,19-21H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/p-3/t5?,6-,8-,9-,12-/m1/s1 SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OCC(O)C(=O)[O-])[C@@H](O)[C@H]3O)C2=NC=N1 MNX internals InChI (mnx) InChI=1/C13H19N5O13P2/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(21)8(20)6(30-12)2-29-33(26,27)31-32(24,25)28-1-5(19)13(22)23/h3-6,8-9,12,19-21H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/t5?,6-,8-,9-,12-/m1/s1 SMILES (mnx) [CH2:1]([CH:5]([C:13](=[O:22])[OH:23])[OH:19])[O:28][P:32]([OH:24])(=[O:25])[O:31][P:33]([OH:26])(=[O:27])[O:29][CH2:2][C@@H:6]1[C@@H:8]([OH:20])[C@@H:9]([OH:21])[C@H:12]([N:18]2[CH:4]=[N:17][C:7]3=[C:10]([NH2:14])[N:15]=[CH:3][N:16]=[C:11]32)[O:30]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0