L-alanyl-5'-AMP

Properties Image MNX_ID MNXM164863 reference chebi:144940 formula C13H19N6O8P global charge 0 mol weight 418.303 InChIKey ISYFCRWDMNBLTM-MACXSXHHSA-N InChI InChI=1S/C13H19N6O8P/c1-5(14)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,2,14H2,1H3,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1 SMILES C[C@H]([NH3+])C(=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/C13H19N6O8P/c1-5(14)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,2,14H2,1H3,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1 SMILES (mnx) [CH3:1][C@@H:5]([C:13](=[O:22])[O:27][P:28]([OH:23])(=[O:24])[O:25][CH2:2][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)[NH2:14]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 13 in models (compartimentalized) 0