Product Name：
Benzoyl-CoA
Other Names： 苯甲酰辅酶A;Benzoyl coenzyme A；Benzoyl CoA
CAS：6756-74-7
Other Names： 苯甲酰辅酶A;Benzoyl coenzyme A；Benzoyl CoA
CAS：6756-74-7
Structural Information
| Molecular Formula | C28H40N7O17P3S | Molecular Weight | 871.64 | ||
| IUPAC Name | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-hydroxybenzenecarbothioate | ||||
| InChIKey | LTVXPVBFJBTNIJ-UHFFFAOYSA-N | ||||
| InChI | InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44) | ||||
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CC=C(C=C4)O)O | ||||
Literature
