a carboxy-adenylated-[ThiS sulfur-carrier protein]

Properties Image MNX_ID MNXM8251 reference metacycM:Adenylated-ThiS-Proteins formula C14H18N7O9P* global charge -1 mol weight   InChIKey   InChI   SMILES [*]NCC(=O)NCC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C15H22N7O9P/c1-17-2-8(23)18-3-9(24)31-32(27,28)29-4-7-11(25)12(26)15(30-7)22-6-21-10-13(16)19-5-20-14(10)22/h5-7,11-12,15,17,25-26H,2-4H2,1H3,(H,18,23)(H,27,28)(H2,16,19,20)/t7-,11-,12-,15-/m1/s1/i1+1 SMILES (mnx) [13CH3:1][NH:17][CH2:2][C:8](=[N:18][CH2:3][C:9](=[O:24])[O:31][P:32]([OH:27])(=[O:28])[O:29][CH2:4][C@@H:7]1[C@@H:11]([OH:25])[C@@H:12]([OH:26])[C@H:15]([N:22]2[CH:6]=[N:21][C:10]3=[C:13]([NH2:16])[N:19]=[CH:5][N:20]=[C:14]32)[O:30]1)[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 10 in models (compartimentalized) 0