methacrylyl-CoA

Base Information

• Chemical Name: methacrylyl-CoA
• CAS No.: 6008-91-9
• Molecular Formula: C₂₅H₄₀N₇O₁₇P₃S
• Molecular Weight: 835.617
• UNII: FZ43RKZ3NL
• Wikipedia: Methacrylyl-CoA
• Wikidata: Q28487605
• Metabolomics Workbench ID: 51444
• Mol file: 6008-91-9.mol

Synonyms:coenzyme A, methacrylyl;methacrylyl-CoA;methacrylyl-coenzyme A

Chemical Property of methacrylyl-CoA

Chemical Property:

• PKA: 1.16±0.50(Predicted)
• PSA: 418.36000
• Density: 1.83g/cm³
• LogP: 0.60380
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 21
• Exact Mass: 835.14142500
• Heavy Atom Count: 53
• Complexity: 1480

Purity/Quality:

99%min ^*data from raw suppliers

METHACRYLYL COENZYME A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
• Isomeric SMILES: CC(=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
• Uses: Methacrylyl-CoA is an intermediate in the serine cycle that converts acetyl CoA (acetyl-CoA) to glyoxylate.

Technology Process of methacrylyl-CoA

There total 3 articles about methacrylyl-CoA which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-(2,4-dinitrophenoxy)-2-methyl-propanoyl-CoA → S-methacryloyl-coenzyme-A (6008-91-9)

Guidance literature:

With human recombinant α-methylacyl-CoA racemase 1A; In aq. phosphate buffer; at 25 ℃; for 0.25h; pH=7.4; Kinetics; Inert atmosphere; Enzymatic reaction;

Reference yield:

S-phenyl 2-methylpropenethioate (54667-28-6) + coenzyme A (85-61-0) → S-methacryloyl-coenzyme-A (6008-91-9)

Guidance literature:

Reference yield:

coenzyme A (85-61-0) + Methacryloyl chloride (920-46-7,26937-45-1) → S-methacryloyl-coenzyme-A (6008-91-9)

Guidance literature:

upstream raw materials:

S-phenyl 2-methylpropenethioate

coenzyme A

Methacryloyl chloride

Downstream raw materials:

3-hydroxy-isobutanoyl-CoA

Refernces