Products 31664-36-5
CAS 31664-36-5 appears in our catalog under these names: CoA disulfide, CoA-S-S-CoA, 89%, Coenzyme A, oxidized lithium salt >= 85. Offered by: Chemat, MedChemExpress, Sigma-Aldrich. Available pack sizes: 5mg, 10 mg, 5 mg, 1 mg, 10MG.
CoA-disulfide is an organic disulfide obtained via oxidative dimerisation of coenzyme A. It is a conjugate acid of a CoA-disulfide(8-).
Source: ChEBI
| Molecular formula | C42H70N14O32P6S2 |
|---|---|
| Molecular weight | 1533.1 g/mol |
| IUPAC name | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[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]ethyldisulfanyl]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate |
| InChIKey | YAISMNQCMHVVLO-ODFVJXNFSA-N |
| SMILES | CC(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)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)OP(=O)(O)O)O)O |
Computed by PubChem (NCBI)