Nonadecanoyl Coenzyme A, free acid

Documentation: Certificate of Analysis

Purity: >95%

Storage: Freezer

Supplied as: Neat

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)CCCCCCCCCCCCCCCCCC

Molecular formula: C40H72N7O17P3S

Molecular weight: 1048.03

Physical state: Solid

Lipid number: C19:0 CoA

CAS Index Name: Coenzyme A, S-nonadecanoate

InChI: InChI=1S/C40H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(49)68-24-23-42-30(48)21-22-43-38(52)35(51)40(2,3)26-61-67(58,59)64-66(56,57)60-25-29-34(63-65(53,54)55)33(50)39(62-29)47-28-46-32-36(41)44-27-45-37(32)47/h27-29,33-35,39,50-51H,4-26H2,1-3H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/t29-,33-,34-,35+,39-/m1/s1

InChIKey: InChIKey=YUJZGRUJMWKAJF-ZOUGCNRJSA-N

Isomeric Smiles: OC1C(N2C=3C(N=C2)=C(N)N=CN3)OC(COP(OP(OCC(C(C(NCCC(NCCSC(CCCCCCCCCCCCCCCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)C1OP(=O)(O)O