S-[(2S)-3-Hydroxy-2-methylpropanoate]-CoA

cas: 319440-43-2 — see every product listed under this CAS number, including other names

S-[(2S)-3-Hydroxy-2-methylpropanoate]-CoA (CAS 319440-43-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-CE01848-Get quote
cas319440-43-2
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Structural formula: {0} (CAS {1})

(S)-3-hydroxyisobutyryl-CoA is a hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxyisobutyric acid. It has a role as a mouse metabolite and a human metabolite. It is a 3-hydroxy fatty acyl-CoA and a hydroxy fatty acyl-CoA. It is functionally related to an isobutyryl-CoA and a (S)-3-hydroxyisobutyric acid. It is a conjugate acid of a (S)-3-hydroxyisobutyryl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC25H42N7O18P3S
Molecular weight853.6 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] (2S)-3-hydroxy-2-methylpropanethioate
InChIKeyWWEOGFZEFHPUAM-UQCJFRAESA-N
SMILESC[C@@H](CO)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

Computed by PubChem (NCBI)

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