Hexadecanoyl Coenzyme A K salt

Documentation: Certificate of Analysis

Purity: >95%

Storage: Freezer

Supplied as: Neat

Smiles: [K].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)CCCCCCCCCCCCCCC

Molecular formula: C37H66N7O17P3S.xK

Physical state: Solid

Lipid number: C16:0 CoA

CAS Index Name: Coenzyme A, S-hexadecanoate, potassium salt (1:?)

InChI: InChI=1S/C37H66N7O17P3S.K/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44;/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52);/t26-,30-,31-,32+,36-;/m1./s1

InChIKey: InChIKey=DUNIPBUZRSJMIA-NNGKVBCISA-N

Isomeric Smiles: O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CCCCCCCCCCCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O.[K]