L-threonylcarbamoyladenylate

Properties Image MNX_ID MNXM145767 reference chebi:73682 formula C15H19N6O11P global charge -2 mol weight 490.322 InChIKey GHLUPQUHEIJRCU-DWVDDHQFSA-L InChI InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/p-2/t5-,6-,7+,9-,10-,13-/m1/s1 SMILES C[C@@H](O)[C@H](NC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1 SMILES (mnx) [CH3:1][C@H:5]([C@@H:7]([C:14](=[O:25])[OH:26])[N:20]=[C:15]([OH:27])[O:32][P:33]([OH:28])(=[O:29])[O:30][CH2:2][C@@H:6]1[C@@H:9]([OH:23])[C@@H:10]([OH:24])[C@H:13]([N:21]2[CH:4]=[N:19][C:8]3=[C:11]([NH2:16])[N:17]=[CH:3][N:18]=[C:12]32)[O:31]1)[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 2