2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine

Properties Image MNX_ID MNXM4269 reference keggC:C06148 formula C9H18N5O14P3 global charge 0 mol weight 513.186 InChIKey ZJYBJXKSWQPKFW-UHFFFAOYSA-N InChI InChI=1S/C9H18N5O14P3/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,6,16-17H,1-2,10H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,13,14,18) SMILES NC1=NC(NCC(=O)C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)=C(N)C(=O)N1 MNX internals InChI (mnx) InChI=1/C9H18N5O14P3/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,6,16-17H,1-2,10H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,13,14,18)/t4?,6? SMILES (mnx) [CH2:1]([C:3]([CH:6]([CH:4]([CH2:2][O:26][P:30]([OH:22])(=[O:23])[O:28][P:31]([OH:24])(=[O:25])[O:27][P:29]([OH:19])([OH:20])=[O:21])[OH:16])[OH:17])=[O:15])[NH:12][C:7]1=[C:5]([NH2:10])[C:8]([OH:18])=[N:14][C:9](=[NH:11])[NH:13]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 3