Structural formula of Hexanoyl Coenzyme A Li salt

Hexanoyl Coenzyme A Li salt

Product number: 19-0600
CAS number: 369656-99-5

Identifiers

CAS Index Name: Coenzyme A, S-hexanoate, lithium salt
Molecular formula: C27H46N7O17P3S.xLi
Lipid number: C6:0 CoA
Smiles: [Li].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)CCCCC
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(CCCCC)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O.[Li]
InChI: InChI=1S/C27H46N7O17P3S.Li/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34;/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42);/t16-,20-,21-,22+,26-;/m1./s1
InChIKey: InChIKey=YBZVYKXECASUFK-SADZUWAPSA-N

Product information

Purity: >95%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Download

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