N(omega)-(ADP-D-ribosyl)-L-arginine

Properties Image MNX_ID MNXM3308 reference chebi:60267 formula C21H34N9O15P2 global charge -1 mol weight 714.499 InChIKey IWVSYNGKNZFSSA-PTDVUUCPSA-M InChI InChI=1S/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)/p-1/t8-,9+,10+,12+,13+,14+,15+,18-,19+/m0/s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-])[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)/t8-,9+,10+,12+,13+,14+,15+,18-,19+/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C@@H:8]([C:20](=[O:35])[OH:36])[NH2:22])[CH2:3][NH:25][C:21](=[NH:24])[NH:29][C@@H:18]1[C@H:14]([OH:33])[C@H:12]([OH:31])[C@@H:9]([CH2:4][O:41][P:46]([OH:37])(=[O:38])[O:45][P:47]([OH:39])(=[O:40])[O:42][CH2:5][C@@H:10]2[C@@H:13]([OH:32])[C@@H:15]([OH:34])[C@H:19]([N:30]3[CH:7]=[N:28][C:11]4=[C:16]([NH2:23])[N:26]=[CH:6][N:27]=[C:17]43)[O:44]2)[O:43]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 1