Product Name：
(2S)-methylsuccinyl-CoA(5-)
Other Names： (2S)-methylsuccinyl-CoA(5-)；CHEBI:84866；Q27158135
Other Names： (2S)-methylsuccinyl-CoA(5-)；CHEBI:84866；Q27158135
Structural Information
| Molecular Formula | C26H37N7O19P3S-5 | Molecular Weight | 876.6 | ||
| IUPAC Name | (3S)-4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxobutanoate | ||||
| InChIKey | OUFHQHVVFSERRI-VKBDFPRVSA-I | ||||
| InChI | InChI=1S/C26H42N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/t13-,14+,18+,19+,20-,24+/m0/s1 | ||||
| SMILES | CC(CC(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O | ||||
