Structural formula of Coenzyme A Li salt

Coenzyme A Li salt

Product number: 19-1010
CAS number: 18439-24-2
Synonyms: Coenzyme A, trilithium salt, CoA trilithium salt, Trilithium coenzyme A

Identifiers

CAS Index Name: Coenzyme A, lithium salt (1:3)
Molecular formula: C21H36N7O16P3S.3Li
Molecular weight: 788.36
Smiles: [Li].O=C(NCCS)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
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(NCCS)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O.[Li]
InChI: InChI=1S/C21H36N7O16P3S.3Li/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;;/t11-,14-,15-,16+,20-;;;/m1.../s1
InChIKey: InChIKey=INHFHKVLIJCQLE-FFKZSOHASA-N

Product information

Purity: >98%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Ask for MSDS

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