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: 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-M275390-50MG
cas6712-01-2
size50mg
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Available pack sizes

brand size price
TRC 50mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

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 formulaC26H42N7O18P3S
Molecular weight865.6 g/mol
IUPAC nameS-[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
InChIKeyNHNODHRSCRALBF-NQNBQJKNSA-N
SMILESCC(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

Computed by PubChem (NCBI)

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