2-[(1R,6S)-1,6-dihydroxycyclohexa-2,4-dien-1-yl]acetyl-coA

Properties Image Occurences in reactions MNX_ID MNXM14168 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C29H40N7O19P3S charge -4 mass 915.13345 reference metacycM:CIS-DIHYDRODIOL-DERIV-PHEAC InChIKey FGLOXTAZEAOLJK-LEHNLPACSA-J InChI InChI=1S/C29H44N7O19P3S/c1-28(2,23(41)26(42)32-8-6-18(38)31-9-10-59-19(39)11-29(43)7-4-3-5-17(29)37)13-52-58(49,50)55-57(47,48)51-12-16-22(54-56(44,45)46)21(40)27(53-16)36-15-35-20-24(30)33-14-34-25(20)36/h3-5,7,14-17,21-23,27,37,40-41,43H,6,8-13H2,1-2H3,(H,31,38)(H,32,42)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-4/t16-,17+,21-,22-,23+,27-,29+/m1/s1 SMILES CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@]1(O)C=CC=C[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph