Citryl-Thioether-CoA

cas: 72845-19-3 — see every product listed under this CAS number, including other names

Citryl-Thioether-CoA (CAS 72845-19-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-CE01263-Get quote
cas72845-19-3
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Structural formula: {0} (CAS {1})

2-[2-[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]ethylsulfanyl]ethyl]-2-hydroxybutanedioic acid (CAS 72845-19-3) is a chemical compound with the molecular formula C27H44N7O21P3S and a molecular weight of 927.7 g/mol. IUPAC name: 2-[2-[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]ethylsulfanyl]ethyl]-2-hydroxybutanedioic acid. InChIKey: VPFUWJMPUQBRCJ-UHFFFAOYSA-N.

Identity
Molecular formulaC27H44N7O21P3S
Molecular weight927.7 g/mol
IUPAC name2-[2-[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]ethylsulfanyl]ethyl]-2-hydroxybutanedioic acid
InChIKeyVPFUWJMPUQBRCJ-UHFFFAOYSA-N
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCCC(CC(=O)O)(C(=O)O)O)O

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