Crotonyl coenzyme A

S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] but-2-enethioate

Also Known As: crotonyl-coenzyme A|crotonyl-CoA|Coenzyme A, crotonyl-|S-But-2-enoylcoenzyme A|CROTONYL COENZYME A|EINECS 213-595-9|S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] but-2-enethioate

Molecular Formula	C25H40N7O17P3S
Molecular Weight	835.1414 g/mol
LogP	-0.76
Topological Polar Surface Area	363.63 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	19
Rotatable Bonds	20
Exact Mass	835.1414
Heavy Atoms	53
Complexity	1792.3

Chemical Identifiers

CAS Number	992-67-6
SMILES	CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O