Products 50411-91-1

CAS 50411-91-1 appears in our catalog under these names: 10:0 (3-OXO) COA, 3-Oxodecanoyl-CoA. Offered by: Sigma-Aldrich, MedChemExpress. Available pack sizes: 1MG, Get quote.

10:0 (3-OXO) COA
Sigma-Aldrich
  • size: 1MG
  • Variants: 1
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3-Oxodecanoyl-CoA
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

S-[2-[3-[[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] 3-oxodecanethioate (CAS 50411-91-1) is a chemical compound with the molecular formula C31H52N7O18P3S and a molecular weight of 935.8 g/mol. IUPAC name: S-[2-[3-[[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] 3-oxodecanethioate. InChIKey: AZCVXMAPLHSIKY-BOJFXZHGSA-N.

Identity
Molecular formulaC31H52N7O18P3S
Molecular weight935.8 g/mol
IUPAC nameS-[2-[3-[[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] 3-oxodecanethioate
InChIKeyAZCVXMAPLHSIKY-BOJFXZHGSA-N
SMILESCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(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

Computed by PubChem (NCBI)

Synonyms: 3-ketodecanoyl-CoA, 3-Oxodecanoyl-CoA; (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] 3-hydroxy-2,6-dimethyl-5-methylideneheptanethioate C31H52N7O18P3S
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] 7-oxodecanethioate C31H52N7O18P3S