4-cis-decenoyl-CoA

Base Information

• Chemical Name: 4-cis-decenoyl-CoA
• CAS No.: 69281-30-7
• Molecular Formula: C₃₁H₅₂N₇O₁₇P₃S
• Molecular Weight: 919.778
• Wikidata: Q76386913
• Metabolomics Workbench ID: 38043
• Mol file: 69281-30-7.mol

Synonyms:4-cis-decenoyl-CoA;4Z-decaenoyl-CoA;deca-4Z-enoyl-CoA;cis-deca-4-enoyl-CoA;4Z-decaenoyl-coenzyme A;deca-4Z-enoyl-coenzyme A;cis-deca-4-enoyl-Coenzime A;cis-deca-4-enoyl-Coenzyme A;cis-4-Decenoyl-CoA;(Acyl-CoA);[M+H]+;{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(4E)-dec-4-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

Chemical Property of 4-cis-decenoyl-CoA

Chemical Property:

• PSA: 425.34000
• Density: 1.66g/cm³
• LogP: 3.84320
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 27
• Exact Mass: 919.23532538
• Heavy Atom Count: 59
• Complexity: 1560

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCCC(=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/C=C/CCC(=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

Technology Process of 4-cis-decenoyl-CoA

There total 3 articles about 4-cis-decenoyl-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:

(Z)-dec-4-enoic acid (505-90-8) → cis-4-decenoyl-CoA (69281-30-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 2,4,6-trimethyl-pyridine / dichloromethane / Inert atmosphere; Cooling with ice

1.2: 2.17 h / 20 °C / Inert atmosphere

2.1: potassium hydrogencarbonate / tetrahydrofuran; water / 0.5 h / pH 7.5 - 8 / Inert atmosphere

With 2,4,6-trimethyl-pyridine; potassium hydrogencarbonate; In tetrahydrofuran; dichloromethane; water;

DOI:10.1016/j.ab.2010.02.026

Reference yield:

(Z)-4-decenal (30390-50-2,65405-70-1,21662-09-9) → cis-4-decenoyl-CoA (69281-30-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide; silver(l) oxide / 2.33 h

2.1: 2,4,6-trimethyl-pyridine / dichloromethane / Inert atmosphere; Cooling with ice

2.2: 2.17 h / 20 °C / Inert atmosphere

3.1: potassium hydrogencarbonate / tetrahydrofuran; water / 0.5 h / pH 7.5 - 8 / Inert atmosphere

With 2,4,6-trimethyl-pyridine; potassium hydrogencarbonate; sodium hydroxide; silver(l) oxide; In tetrahydrofuran; dichloromethane; water;

DOI:10.1016/j.ab.2010.02.026

Reference yield:

coenzyme A trilithium salt + C13H22O4 → cis-4-decenoyl-CoA (69281-30-7)

Guidance literature:

With potassium hydrogencarbonate; In tetrahydrofuran; water; for 0.5h; pH=7.5 - 8; Inert atmosphere;

DOI:10.1016/j.ab.2010.02.026

upstream raw materials:

(Z)-dec-4-enoic acid

(Z)-4-decenal

Refernces