CAS 1264-52-4 MFCD02259055-Octanoyl-CoA -LabNovo

SMILES: CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

Mol. Formula	C29H50N7O17P3S
Mol. Weight	893.734

Chemical Name	Octanoyl-coenzyme A
InChIKey	KQMZYOXOBSXMII-PJASCIKHSA-N
PubChem Substance ID	445344
InChI	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
LabNetwork Molecule ID	LN04602697
Chemical Name Translation
Synonym	coenzyme A, octanoyl- octanoyl-CoA octanoyl-coenzyme A

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