3-Hydroxyglutaryl-CoA

Properties Image Occurences in reactions MNX_ID MNXM166184 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C26H42N7O20P3S charge 0 mass 897.14182 reference sabiorkM:26437 InChIKey IIYZSYKTQRIPRG-MJBWAWCGSA-N InChI InChI=1S/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13?,14-,19-,20-,21+,25-/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)CC(O)CC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph