Products 146622-45-9

CAS 146622-45-9 appears in our catalog under these names: 4ME 16:0 COENZYME A, Phytanoyl-CoA. Offered by: Sigma-Aldrich, MedChemExpress. Available pack sizes: 5MG, 1 mg.

4ME 16:0 COENZYME A
Sigma-Aldrich
  • size: 5MG
  • Variants: 1
from 1870.00
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Phytanoyl-CoA
MedChemExpress
  • size: 1 mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3,7,11,15-tetramethylhexadecanethioate (CAS 146622-45-9) is a chemical compound with the molecular formula C41H74N7O17P3S and a molecular weight of 1062.1 g/mol. IUPAC name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3,7,11,15-tetramethylhexadecanethioate. InChIKey: NRJQGHHZMSOUEN-UHFFFAOYSA-N.

Identity
Molecular formulaC41H74N7O17P3S
Molecular weight1062.1 g/mol
IUPAC nameS-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3,7,11,15-tetramethylhexadecanethioate
InChIKeyNRJQGHHZMSOUEN-UHFFFAOYSA-N
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Computed by PubChem (NCBI)

Synonyms: Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate), Phytanoyl Coenzyme A (trimethylammonium salt), Phytanoyl-coenzyme A; (Acyl-CoA); [M+H]+;
Isomers (same molecular formula)
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] icosanethioate C41H74N7O17P3S