Chemical Compound

Hexanoyl coenzyme A trilithium salt

CAS Registry Number 103476-19-3
Hexanoyl coenzyme A trilithium salt chemical structure
Primary Record

Hexanoyl coenzyme A trilithium salt

In stock
5,423 g
Purity
98.5 %
CAS
103476-19-3

Compound Identifiers & Properties

CAS
103476-19-3
PubChem CID
154727043
SMILES
[Li+].[Li+].[Li+].CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O
Canonical SMILES
CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O.[Li+].[Li+].[Li+]

Names & Synonyms

  • Hexanoyl coenzyme A trilithium salt
  • Caproyl Coenzyme A trilithium salt
  • 103476-19-3
  • Lithium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(((((((R)-4-((3-((2-(hexanoylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate
  • Coenzyme a,s-hexanoate,trilithium salt(9ci)
  • trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-hexanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate