172376-03-3 (((methylenecyclopropyl)formyl-coenzyme A)

CAS号:
172376-03-3
英文名称:
(methylenecyclopropyl)formyl-coenzyme A
分子式:
C26H40N7O17P3S
分子量:
847.618787765503

(methylenecyclopropyl)formyl-coenzyme A(172376-03-3)名称与标识符

标识符

InChIKey:
HGUPMGXQINVJJW-XGXNYEOVSA-N
Inchi:
1S/C26H40N7O17P3S/c1-13-8-14(13)25(38)54-7-6-28-16(34)4-5-29-23(37)20(36)26(2,3)10-47-53(44,45)50-52(42,43)46-9-15-19(49-51(39,40)41)18(35)24(48-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14-15,18-20,24,35-36H,1,4-10H2,2-3H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t14?,15-,18-,19-,20+,24-/m1/s1
SMILES:
[C@H]1(O[C@H](COP(=O)(O)OP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C2CC2=C)[C@@H](OP(=O)(O)O)[C@H]1O)N1C=NC2C(N)=NC=NC1=2