2-Oxopentanedicarboxyl-CoA

cas: 1053175-40-8 — see every product listed under this CAS number, including other names

2-Oxopentanedicarboxyl-CoA (CAS 1053175-40-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1053175-40-8
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Structural formula: {0} (CAS {1})

5-[2-[3-[[4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4,5-dioxopentanoic acid (CAS 1053175-40-8) is a chemical compound with the molecular formula C26H40N7O20P3S and a molecular weight of 895.6 g/mol. IUPAC name: 5-[2-[3-[[4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4,5-dioxopentanoic acid. InChIKey: QYHKIXYHXCJHTR-IVXZQCHCSA-N.

Identity
Molecular formulaC26H40N7O20P3S
Molecular weight895.6 g/mol
IUPAC name5-[2-[3-[[4-[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4,5-dioxopentanoic acid
InChIKeyQYHKIXYHXCJHTR-IVXZQCHCSA-N
SMILESCC(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)C(C(=O)NCCC(=O)NCCSC(=O)C(=O)CCC(=O)O)O

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