2-Octynoyl-CoA

cas: 96448-59-8 — see every product listed under this CAS number, including other names

2-Octynoyl-CoA (CAS 96448-59-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas96448-59-8
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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] oct-2-ynethioate (CAS 96448-59-8) is a chemical compound with the molecular formula C29H46N7O17P3S and a molecular weight of 889.7 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] oct-2-ynethioate. InChIKey: JPHVSRAAJZRNIM-UHFFFAOYSA-N.

Identity
Molecular formulaC29H46N7O17P3S
Molecular weight889.7 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] oct-2-ynethioate
InChIKeyJPHVSRAAJZRNIM-UHFFFAOYSA-N
SMILESCCCCCC#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)

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