5-phospho-alpha-D-ribose-1-preQ0

Properties Image MNX_ID MNXM10342 reference metacycM:CPD-13095 formula C12H12N5O8P global charge -2 mol weight 385.229 InChIKey AHGYTEXIRSSWAX-FCKMSMMTSA-L InChI InChI=1S/C12H14N5O8P/c13-1-4-2-17(9-6(4)10(20)16-12(14)15-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h2,5,7-8,11,18-19H,3H2,(H2,21,22,23)(H3,14,15,16,20)/p-2/t5-,7-,8-,11+/m1/s1 SMILES N#CC1=CN([C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2 MNX internals InChI (mnx) InChI=1/C12H14N5O8P/c13-1-4-2-17(9-6(4)10(20)16-12(14)15-9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h2,5,7-8,11,18-19H,3H2,(H2,21,22,23)(H3,14,15,16,20)/t5-,7-,8-,11+/m1/s1 SMILES (mnx) [C:1]([C:4]1=[CH:2][N:17]([C@@H:11]2[C@H:8]([OH:19])[C@H:7]([OH:18])[C@@H:5]([CH2:3][O:24][P:26]([OH:21])([OH:22])=[O:23])[O:25]2)[C:9]2=[C:6]1[C:10]([OH:20])=[N:16][C:12](=[NH:14])[NH:15]2)#[N:13]

Parent-child relations graph

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