L-cysteinyl-5'-AMP

Properties Image MNX_ID MNXM7232 reference chebi:144924 formula C13H19N6O8PS global charge 0 mol weight 450.37 InChIKey CHQCHJWWSCSGOJ-MACXSXHHSA-N InChI InChI=1S/C13H19N6O8PS/c14-5(2-29)13(22)27-28(23,24)25-1-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21,29H,1-2,14H2,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1 SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)[C@@H]([NH3+])CS)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C13H19N6O8PS/c14-5(2-29)13(22)27-28(23,24)25-1-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21,29H,1-2,14H2,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1 SMILES (mnx) [CH2:1]([C@@H:6]1[C@@H:8]([OH:20])[C@@H:9]([OH:21])[C@H:12]([N:19]2[CH:4]=[N:18][C:7]3=[C:10]([NH2:15])[N:16]=[CH:3][N:17]=[C:11]32)[O:26]1)[O:25][P:28]([OH:23])(=[O:24])[O:27][C:13]([C@H:5]([CH2:2][SH:29])[NH2:14])=[O:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 16 in models (compartimentalized) 0