octanoyl-CoA





Chemical Formula:
C29H46N7O17P3S
Molecular Weight:
889.7 Daltons
Monoisotopic Mass:
893.2196734370999 Daltons
SMILES:
CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
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)/p-4/t18-,22-,23-,24+,28-/m1/s1

Synonyms
  • Octanoyl-CoA (n-C8:0CoA)
  • capryloyl-CoA

Databases
MetaCyc:  CPD-196
RefMet:  Octanoyl-CoA
BiGG:  occoa
MetaboLights:  MTBLC57386
HMDB:  HMDB01070
ChEBI:  57386
PubChem (CID):  25245711 445344
KEGG:  C01944
Seed:  cpd01335
MetaNetX:  MNXM342