Molecule: phenylacetyl-CoA(4-)
Tetraanion of phenylacetyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Synonyms for phenylacetyl-CoA(4-) :
phenylacetyl-CoA
phenylacetyl-CoA tetraanion
phenylacetyl-Coenzyme A(4-)
Molecular Formula: C29H38N7O17P3S
Molecular wt: 881.63500 g/mole
Charge: -4
SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1
InChIKey: ZIGIFDRJFZYEEQ-CECATXLMSA-J
InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t18-,22-,23-,24+,28-/m1/s1
Sample reactions for this molecule: