a [cytidylyl molybdenum cofactor chaperone]-cytidylyl molybdenum cofactor (sulfo-dioxo)

Properties Image MNX_ID MNXM1134083 reference metacycM:CPD-23447 formula C19H22MoN8O15P2S3* global charge -2 mol weight   InChIKey   InChI   SMILES [*]O[Mo]1(=O)(=S)SC2=C(S1)[C@@H]1NC3=C(N=C(N)NC3=O)N[C@@H]1O[C@@H]2COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C19H26N8O13P2S2.CH3O.Mo.O.S/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14;1-2;;;/h1-2,5-6,8,10-11,16-17,23,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H4,21,24,25,26,30);1H3;;;/q;-1;+3;;/t5-,6-,8+,10-,11-,16-,17-;;;;/m1..../s1/i;1+1;;; SMILES (mnx) [13CH3:45][O-:46].[CH:1]1=[CH:2][N:27]([C@H:17]2[C@H:11]([OH:29])[C@H:10]([OH:28])[C@@H:5]([CH2:3][O:36][P:41]([OH:32])(=[O:33])[O:40][P:42]([OH:34])(=[O:35])[O:37][CH2:4][C@@H:6]3[C:12]([SH:43])=[C:13]([SH:44])[C@H:8]4[C@H:16]([NH:24][C:14]5=[C:9]([C:15]([OH:30])=[N:26][C:18](=[NH:21])[NH:25]5)[NH:23]4)[O:38]3)[O:39]2)[C:19]([OH:31])=[N:22][C:7]1=[NH:20].[Mo+3:47].[O:48].[S:49]

Parent-child relations graph

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