Octanoyl Coenzyme A free acid
CAS number: 1264-52-4
Synonyms:
Octanoyl coenzyme A, Octanoyl-CoA, Capryloyl CoA, n-Octanoyl-CoA
Identifiers
CAS Index Name:
Coenzyme A, S-octanoate
Molecular formula:
C29H50N7O17P3S
Molecular weight:
893.73
Lipid number:
C8:0 CoA
Smiles:
O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CCCCCCC
Isomeric Smiles:
OC1C(N2C=3C(N=C2)=C(N)N=CN3)OC(COP(OP(OCC(C(C(NCCC(NCCSC(CCCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)C1OP(=O)(O)O
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
InChIKey:
InChIKey=KQMZYOXOBSXMII-CECATXLMSA-N
Product information
Purity:
>95%
Storage:
Freezer
Supplied as:
Neat
Physical state:
Solid
Documentation:
Certificate of Analysis
MSDS:
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