Products 1245946-20-6
CAS 1245946-20-6 is the registry number for (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
(3R)-3-isopropenyl-6-oxoheptanoyl-CoA is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-isopropenyl-6-oxoheptanoic acid. It has a role as a mouse metabolite. It is a monounsaturated fatty acyl-CoA, an oxo-fatty acyl-CoA and a branched-chain fatty acyl-CoA. It is functionally related to a heptanoyl-CoA and a (3R)-3-isopropenyl-6-oxoheptanoic acid.
Source: ChEBI
| Molecular formula | C31H50N7O18P3S |
|---|---|
| Molecular weight | 933.8 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] (3R)-6-oxo-3-prop-1-en-2-ylheptanethioate |
| InChIKey | VMTHAXKUEKKCEY-PDQACDDGSA-N |
| SMILES | CC(=C)[C@H](CCC(=O)C)CC(=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)