5'-phosphoguanylyl(3'->5')guanosine

Properties Image MNX_ID MNXM4772 reference chebi:58754 formula C20H23N10O15P2 global charge -3 mol weight 705.407 InChIKey ZEHOHLFQOXAZHX-MHARETSRSA-K InChI InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(43-17)1-42-47(39,40)45-12-6(2-41-46(36,37)38)44-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/p-3/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 SMILES NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])O[C@H]3[C@@H](O)[C@H](N4C=NC5=C4N=C(N)NC5=O)O[C@@H]3COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1 MNX internals InChI (mnx) InChI=1/C20H26N10O15P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(43-17)1-42-47(39,40)45-12-6(2-41-46(36,37)38)44-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 SMILES (mnx) [CH2:1]([C@@H:5]1[C@@H:9]([OH:31])[C@@H:10]([OH:32])[C@H:17]([N:29]2[CH:3]=[N:23][C:7]3=[C:13]2[NH:25][C:19](=[NH:21])[N:27]=[C:15]3[OH:34])[O:43]1)[O:42][P:47]([OH:39])(=[O:40])[O:45][C@@H:12]1[C@@H:6]([CH2:2][O:41][P:46]([OH:36])([OH:37])=[O:38])[O:44][C@@H:18]([N:30]2[CH:4]=[N:24][C:8]3=[C:14]2[NH:26][C:20](=[NH:22])[N:28]=[C:16]3[OH:35])[C@@H:11]1[OH:33]

Parent-child relations graph

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