🧪 3-(4-Sulfophenyl)butyrate enoyl-CoA
Chemical Structure
📋 Properties
SMILES:
O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)([O-])O)C=C(C4=CC=C(C=C4)S(=O)(=O)[O-])C
InChI:
InChI=1S/C31H44N7O20P3S2/c1-17(18-4-6-19(7-5-18)63(51,52)53)12-22(40)62-11-10-33-21(39)8-9-34-29(43)26(42)31(2,3)14-55-61(49,50)58-60(47,48)54-13-20-25(57-59(44,45)46)24(41)30(56-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,41-42H,8-11,13-14H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)(H,51,52,53)/p-4/b17-12-
Database ID:
429
External:
3-Hydroxy-3-(4-sulfophenyl)butyryl-CoA
3-(4-Sulfophenyl)butyrate-CoA