Valeryl CoA

Base Information

• Chemical Name: Valeryl CoA
• CAS No.: 4752-33-4
• Molecular Formula: C26H44 N7 O17 P3 S
• Molecular Weight: 851.659
• DSSTox Substance ID: DTXSID40963867
• Nikkaji Number: J363.722K
• Mol file: 4752-33-4.mol

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

Chemical Property of Valeryl CoA

Chemical Property:

• PSA: 425.34000
• LogP: 2.11670
• XLogP3: -4.2
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 23
• Exact Mass: 851.17272513
• Heavy Atom Count: 54
• Complexity: 1430

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=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: CCCCC(=O)SCCNC(=O)CCNC(=O)C(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

Technology Process of Valeryl CoA

There total 6 articles about Valeryl 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:

coenzyme A (85-61-0) + valeric acid (109-52-4) → pentanoyl coenzyme A (4752-33-4)

Guidance literature:

With mitochondrial acyl-coenzyme A synthetase from rat liver; tris hydrochloride; ATP; magnesium chloride; In water; at 37 ℃; for 0.5h; pH=8.5; Further Variations:; Reagents; Enzyme kinetics;

DOI:10.1002/jbt.10063

Reference yield:

pentanoic anhydride (2082-59-9) + coenzyme A (85-61-0) → pentanoyl coenzyme A (4752-33-4)

Guidance literature:

Reference yield:

pentenoyl-CoA (52580-14-0) → propylmalonyl-CoA + pentanoyl coenzyme A (4752-33-4)

Guidance literature:

With Streptomyces sp. SN-593 RevT carboxylating enoyl-thioester reductase; sodium hydrogencarbonate; NADPH; at 20 ℃; for 3h; Reagent/catalyst; Enzymatic reaction;

DOI:10.1002/anie.201505282

upstream raw materials:

pentanoic anhydride

coenzyme A

valeric acid

pentanal

Downstream raw materials:

coenzyme A

Refernces

• 1、 Zhu, Mengyi,Wang, Lijuan,He, Jing. "Repurposing the 3-Isocyanobutanoic Acid Adenylation Enzyme SfaB for Versatile Amidation and Thioesterification". supporting information. p. 2030 - 2035. Retrieved 2020/11/30.
• 2、 Lelièvre, Chloé M.,Balandras, Mélanie,Petit, Jean-Louis,Vergne-Vaxelaire, Carine,Zaparucha, Anne. "ATP Regeneration System in Chemoenzymatic Amide Bond Formation with Thermophilic CoA Ligase". . p. 1184 - 1189. Retrieved 2020/01/22.