Molecule: octanoyl-CoA
A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of octanoic acid.
Synonyms for octanoyl-CoA :
8:0-CoA
C8:0-CoA
Coenzyme A, S-octanoate
Octanoyl-CoA
Octanoyl-coa
Octanoyl-coenzyme A
capryloyl-CoA
capryloyl-coenzyme A
n-octanoyl-CoA
octanoylcoenzyme A
octylyl-CoA
octylyl-coenzyme A
Molecular Formula: C29H50N7O17P3S
Molecular wt: 893.730 g/mole
Charge: 0
SMILES: CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
InChIKey: KQMZYOXOBSXMII-CECATXLMSA-N
InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1