(3R)-3-Hydroxyoctanoyl-CoA

cas: 117249-49-7 — see every product listed under this CAS number, including other names

(3R)-3-Hydroxyoctanoyl-CoA (CAS 117249-49-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-CE00144-Get quote
cas117249-49-7
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Structural formula: {0} (CAS {1})

(R)-3-hydroxyoctanoyl-CoA is an (R)-3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxyoctanoic acid. It is a (R)-3-hydroxyacyl-CoA and a hydroxy fatty acyl-CoA. It is functionally related to an octanoyl-CoA and a (R)-3-hydroxyoctanoic acid. It is a conjugate acid of a (R)-3-hydroxyoctanoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC29H50N7O18P3S
Molecular weight909.7 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] (3R)-3-hydroxyoctanethioate
InChIKeyATVGTMKWKDUCMS-JWBYWSJJSA-N
SMILESCCCCC[C@H](CC(=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)O

Computed by PubChem (NCBI)

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