hexadecanoyl-AMP

Properties Image MNX_ID MNXM147120 reference chebi:83627 formula C26H43N5O8P global charge -1 mol weight 584.631 InChIKey CMRDSXPYXCUXMI-VJUOEERUSA-M InChI InChI=1S/C26H44N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(32)39-40(35,36)37-16-19-22(33)23(34)26(38-19)31-18-30-21-24(27)28-17-29-25(21)31/h17-19,22-23,26,33-34H,2-16H2,1H3,(H,35,36)(H2,27,28,29)/p-1/t19-,22-,23-,26-/m1/s1 SMILES CCCCCCCCCCCCCCCC(=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/C26H44N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(32)39-40(35,36)37-16-19-22(33)23(34)26(38-19)31-18-30-21-24(27)28-17-29-25(21)31/h17-19,22-23,26,33-34H,2-16H2,1H3,(H,35,36)(H2,27,28,29)/t19-,22-,23-,26-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:20](=[O:32])[O:39][P:40]([OH:35])(=[O:36])[O:37][CH2:16][C@@H:19]1[C@@H:22]([OH:33])[C@@H:23]([OH:34])[C@H:26]([N:31]2[CH:18]=[N:30][C:21]3=[C:24]([NH2:27])[N:28]=[CH:17][N:29]=[C:25]32)[O:38]1

Parent-child relations graph

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