Products 211363-24-5
CAS 211363-24-5 is the registry number for (24E)-3α,7α-Dihydroxy-5β-cholest-24-enoyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
(24E)-3alpha,7alpha-dihydroxy-5beta-cholest-24-en-26-oyl-CoA is a steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (24E)-3alpha,7alpha-dihydroxy-5beta-cholest-24-en-26-oic acid. It has a role as a human metabolite. It is a conjugate acid of a (24E)-3alpha,7alpha-dihydroxy-5beta-cholest-24-en-26-oyl-CoA(4-).
Source: ChEBI
| Molecular formula | C48H78N7O19P3S |
|---|---|
| Molecular weight | 1182.2 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,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enethioate |
| InChIKey | SEBZZAWTQNNGPK-RDYMGNODSA-N |
| SMILES | C[C@H](CC/C=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)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C |
Computed by PubChem (NCBI)
Synonyms:
(24E)-3alpha,7alpha-dihydroxy-5beta-cholest-24-en-26-oyl-CoA, (24E)-3alpha,7alpha-dihydroxy-5beta-cholest-24-en-26-oyl-coenzyme A, (24E)-3alpha,7alpha-dihydroxy-5beta-cholest-24-enoyl-CoA, orb3181816, (24E)-3a,7a-Dihydroxy-5b-cholest-24-en-26-oyl-CoA, (24E)-3a,7a-Dihydroxy-5b-cholest-24-en-26-oyl-coenzyme A