CAS 10018-93-6 appears in our catalog under these names: trans-2-Hexenoic Acid-Coenzyme A, trans-hex-2-enoyl-CoA, (2E)-Hexenoyl-CoA. Offered by: Chemat Brand, TRC, MedChemExpress. Available pack sizes: on request, 25mg, 1 mg.
Trans-hex-2-enoyl-CoA is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-hex-2-enoic acid. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a monounsaturated fatty acyl-CoA, a trans-2-enoyl-CoA and a medium-chain fatty acyl-CoA. It is functionally related to a coenzyme A. It is a conjugate acid of a trans-hex-2-enoyl-CoA(4-).
Source: ChEBI
| Molecular formula | C27H44N7O17P3S |
|---|---|
| Molecular weight | 863.7 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] (E)-hex-2-enethioate |
| InChIKey | OINXHIBNZUUIMR-IXUYQXAASA-N |
| SMILES | CCC/C=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)