a 5'-CoA-ribonucleoside residue

Properties Image MNX_ID MNXM1133667 reference chebi:172371 formula C26H39N7O19P3S*2 global charge -3 mol weight   InChIKey   InChI   SMILES [*]O[C@H]1[C@@H](O)[C@H]([*])O[C@@H]1COP(=O)([O-])O[C@H]1[C@@H](O)[C@H](N2C=NC3=C2N=CN=C3N)O[C@@H]1COP(=O)([O-])OP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS MNX internals InChI (mnx) InChI=1/C28H48N7O19P3S/c1-14-19(37)21(47-4)15(51-14)9-48-55(41,42)53-22-16(52-27(20(22)38)35-13-34-18-24(29)32-12-33-25(18)35)10-49-56(43,44)54-57(45,46)50-11-28(2,3)23(39)26(40)31-6-5-17(36)30-7-8-58/h12-16,19-23,27,37-39,58H,5-11H2,1-4H3,(H,30,36)(H,31,40)(H,41,42)(H,43,44)(H,45,46)(H2,29,32,33)/t14-,15+,16+,19-,20+,21+,22+,23-,27+/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C@H:14]1[C@H:19]([OH:37])[C@H:21]([O:47][13CH3:4])[C@@H:15]([CH2:9][O:48][P:55]([OH:41])(=[O:42])[O:53][C@@H:22]2[C@@H:16]([CH2:10][O:49][P:56]([OH:43])(=[O:44])[O:54][P:57]([OH:45])(=[O:46])[O:50][CH2:11][C:28]([CH3:2])([CH3:3])[C@H:23]([C:26](=[N:31][CH2:6][CH2:5][C:17](=[N:30][CH2:7][CH2:8][SH:58])[OH:36])[OH:40])[OH:39])[O:52][C@@H:27]([N:35]3[CH:13]=[N:34][C:18]4=[C:24]([NH2:29])[N:32]=[CH:12][N:33]=[C:25]43)[C@@H:20]2[OH:38])[O:51]1

Parent-child relations graph

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