N-adenylylanthranilic acid

Properties Image MNX_ID MNXM4718 reference chebi:17469 formula C17H19N6O8P global charge 0 mol weight 466.347 InChIKey VRPRDYILQKJWNN-XNIJJKJLSA-N InChI InChI=1S/C17H19N6O8P/c18-14-11-15(20-6-19-14)23(7-21-11)16-13(25)12(24)10(31-16)5-30-32(28,29)22-9-4-2-1-3-8(9)17(26)27/h1-4,6-7,10,12-13,16,24-25H,5H2,(H,26,27)(H2,18,19,20)(H2,22,28,29)/t10-,12-,13-,16-/m1/s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)NC2=C(C(=O)O)C=CC=C2)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C17H19N6O8P/c18-14-11-15(20-6-19-14)23(7-21-11)16-13(25)12(24)10(31-16)5-30-32(28,29)22-9-4-2-1-3-8(9)17(26)27/h1-4,6-7,10,12-13,16,24-25H,5H2,(H,26,27)(H2,18,19,20)(H2,22,28,29)/t10-,12-,13-,16-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:9]([NH:22][P:32]([OH:28])(=[O:29])[O:30][CH2:5][C@@H:10]2[C@@H:12]([OH:24])[C@@H:13]([OH:25])[C@H:16]([N:23]3[CH:7]=[N:21][C:11]4=[C:14]([NH2:18])[N:19]=[CH:6][N:20]=[C:15]43)[O:31]2)[C:8]([C:17](=[O:26])[OH:27])=[CH:3]1

Parent-child relations graph

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