Decanoyl-coenzyme A

Base Information

• Chemical Name: Decanoyl-coenzyme A
• CAS No.: 1264-57-9
• Molecular Formula: C14H17 N7 O3 S
• Molecular Weight: 921.794
• Nikkaji Number: J362.551F
• ChEMBL ID: CHEMBL1949897
• Mol file: 1264-57-9.mol

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

Chemical Property of Decanoyl-coenzyme A

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 425.34000
• Density: 1.66 g/cm³
• LogP: 4.06720
• Storage Temp.: −20°C
• Solubility.: H2O: 50 mg/mL, clear, colorless
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 28
• Exact Mass: 921.25097545
• Heavy Atom Count: 59
• Complexity: 1520

Purity/Quality:

98%,99%, ^*data from raw suppliers

Decanoyl coenzyme A monohydrate ≥90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCC(=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: CCCCCCCCCC(=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
• Uses: Decanoyl coenzyme A monohydrate has been used in the phosphatidylinositol 4,5-bisphosphate inhibition studies (LC-CoA) and in the human diacylglycerol acyltransferase 1 and 2 assays.

Technology Process of Decanoyl-coenzyme A

There total 4 articles about Decanoyl-coenzyme A 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:

1-decanoic acid (334-48-5) + C21H33N7O16P3S(3-)*3Na(1+) → decanoyl coenzyme A (1264-57-9)

Guidance literature:

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; potassium carbonate; In tetrahydrofuran; water; at 20 ℃;

DOI:10.1016/j.bmcl.2016.05.027

Reference yield:

1-decanoic acid (334-48-5) + coenzyme A (85-61-0) → decanoyl coenzyme A (1264-57-9)

Guidance literature:

With carboxylic acid:CoA ligase; ATP; magnesium chloride; In water; at 30 ℃; pH=8.1; Further Variations:; Reagents; Enzyme kinetics;

DOI:10.1002/jbt.2570100608

Reference yield:

N-decanoyl imidazole (69205-88-5) + coenzyme A (85-61-0) → decanoyl coenzyme A (1264-57-9)

Guidance literature:

In tetrahydrofuran; water; at 20 ℃; for 4h;

DOI:10.1271/bbb.67.2106

upstream raw materials:

1-decanoic acid

coenzyme A

N-decanoyl imidazole

Downstream raw materials:

coenzyme A

6-(2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl)-4-hydroxy-2-pyrone

4-hydroxy-6-nonyl-2H-pyran-2-one

N-(4-hydroxyphenylethyl)decamide

Refernces

• 1、 Furumochi, Sachie,Onoda, Tatsuya,Cho, Yuko,Fuwa, Haruhiko,Sasaki, Makoto,Yotsu-Yamashita, Mari,Konoki, Keiichi. "Effect of carbon chain length in acyl coenzyme A on the efficiency of enzymatic transformation of okadaic acid to 7-O-acyl okadaic acid". . p. 2992 - 2996. Retrieved 2016.
• 2、 Go, Maybelle Kho,Chow, Jeng Yeong,Cheung, Vivian Wing Ngar,Lim, Yan Ping,Yew, Wen Shan. "Establishing a toolkit for precursor-directed polyketide biosynthesis: Exploring substrate promiscuities of acid-CoA ligases". experimental part. p. 4568 - 4579. Retrieved 2012/08/28.