Citronellyl-CoA; (Acyl-CoA); [M+H]+

S-[2-[3-[[(2R)-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] 3,7-dimethyloct-6-enethioate

Also Known As: Citronellyl-CoA|c1031|Citronellyl-CoA; (Acyl-CoA); [M+H]+;

Molecular Formula	C31H52N7O17P3S
Molecular Weight	919.23535 g/mol
LogP	1.4373
Topological Polar Surface Area	363.63 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	18
Rotatable Bonds	24
Exact Mass	919.23535
Monoisotopic Mass	919.23535
Heavy Atoms	59
Complexity	1944.9689

Chemical Identifiers

CAS Number	711027-76-8
SMILES	CC(CCC=C(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](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