3,22-Diketochol-4-en-24-oyl-CoA

cas: 2759151-51-2 — see every product listed under this CAS number, including other names

3,22-Diketochol-4-en-24-oyl-CoA (CAS 2759151-51-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-CE00651-Get quote
cas2759151-51-2
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Structural formula: {0} (CAS {1})

3,22-dioxochol-4-en-24-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 3,22-dioxochol-4-en-24-oic acid. It is a conjugate acid of a 3,22-dioxochol-4-en-24-oyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC45H68N7O19P3S
Molecular weight1136.0 g/mol
IUPAC nameS-[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] (4S)-4-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-oxopentanethioate
InChIKeyMUOUYOUSQGFFIP-GDRSPGQTSA-N
SMILESC[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O)O)O

Computed by PubChem (NCBI)

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