2-Methylacetoacetyl-CoA

cas: 6712-01-2 — see every product listed under this CAS number, including other names

2-Methylacetoacetyl-CoA (CAS 6712-01-2) is a chemical reagent available from Chemat. Available pack sizes: 5 mg, 1 mg. Offered by: MedChemExpress.

brand	MedChemExpress
catalog number	HY-W712673-5 mg
cas	6712-01-2
size	5 mg
availability	Get quote

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Available pack sizes

brand	size	price
MedChemExpress	5 mg	16281.12 Pln
MedChemExpress	1 mg	3737.68 Pln

properties

delivery time	over 3 weeks
purity	no data

2-methylacetoacetyl-CoA is a 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methylacetoacetic acid. It has a role as a mouse metabolite. It is functionally related to a butyryl-CoA. It is a conjugate acid of a 2-methylacetoacetyl-CoA(4-).

Source: ChEBI

Identity
Molecular formula	C₂₆H₄₂N₇O₁₈P₃S
Molecular weight	865.6 g/mol
IUPAC name	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] 2-methyl-3-oxobutanethioate
InChIKey	NHNODHRSCRALBF-NQNBQJKNSA-N
SMILES	CC(C(=O)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](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