Products 1705590-18-6
CAS 1705590-18-6 is the registry number for Delta(4)-dafachronoyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
Delta(4)-dafachronoyl-CoA is a cholestenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-dafachronic acid. It is functionally related to a Delta(4)-dafachronic acid. It is a conjugate acid of a Delta(4)-dafachronoyl-CoA(4-).
Source: ChEBI
| Molecular formula | C48H76N7O18P3S |
|---|---|
| Molecular weight | 1164.1 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] (6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanethioate |
| InChIKey | QHTNQHCVKNUPEI-OTVFJGRSSA-N |
| SMILES | C[C@H](CCCC(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)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@]67C)C |
Computed by PubChem (NCBI)