3-Ketopimelyl-CoA

cas: 1245946-51-3 — see every product listed under this CAS number, including other names

3-Ketopimelyl-CoA (CAS 1245946-51-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-CE00928-Get quote
cas1245946-51-3
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Structural formula: {0} (CAS {1})

3-oxopimeloyl-CoA is the S-(3-oxopimeloyl) derivative of coenzyme A. It has a role as a mouse metabolite. It is functionally related to a pimeloyl-CoA and a 3-oxopimelic acid. It is a conjugate acid of a 3-oxopimeloyl-CoA(5-).

Source: ChEBI

Identity
Molecular formulaC28H44N7O20P3S
Molecular weight923.7 g/mol
IUPAC name7-[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]ethylsulfanyl]-5,7-dioxoheptanoic acid
InChIKeyKJXFOFKTZDJLMQ-UYRKPTJQSA-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@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(=O)O)O

Computed by PubChem (NCBI)

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