propionyl-CoA

Base Information

• Chemical Name: propionyl-CoA
• CAS No.: 317-66-8
• Molecular Formula: C24H40 N7 O17 P3 S
• Molecular Weight: 823.606
• European Community (EC) Number: 206-266-6
• UNII: H7HQA57V5H
• DSSTox Substance ID: DTXSID10185594
• Nikkaji Number: J1.695.704F
• Wikipedia: Propionyl-CoA
• Wikidata: Q2640914
• Metabolomics Workbench ID: 50150
• Mol file: 317-66-8.mol

Synonyms:coenzyme A, propionyl-;propionyl-CoA;propionyl-coenzyme A;propionyl-coenzyme A, 3H-labeled

Chemical Property of propionyl-CoA

Chemical Property:

• Density: 1.86g/cm³
• XLogP3: -5.1
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 21
• Exact Mass: 823.14142500
• Heavy Atom Count: 52
• Complexity: 1400

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=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: 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 propionyl-CoA

There total 7 articles about propionyl-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:

propionic acid anhydride (123-62-6) + coenzyme A (85-61-0) → S-propionyl-coenzyme-A (317-66-8)

Guidance literature:

Reference yield:

succinyl-coenzyme A (604-98-8) → S-propionyl-coenzyme-A (317-66-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Acetobacter aceti succinyl-CoA:acetate CoA transferase C-terminal hexahistidine-tagged / aq. buffer / pH 8 / Enzymatic reaction

2: Acetobacter aceti succinyl-CoA:acetate CoA transferase C-terminal hexahistidine-tagged / aq. buffer / pH 8 / Enzymatic reaction

With Acetobacter aceti succinyl-CoA:acetate CoA transferase C-terminal hexahistidine-tagged; In aq. buffer;

DOI:10.1021/bi300957f

Reference yield:

coenzyme A (85-61-0) → S-propionyl-coenzyme-A (317-66-8)

Guidance literature:

With acetyl-coa-synthetase; ATP;

upstream raw materials:

propionic acid anhydride

coenzyme A

propionic acid

acetylcoenzyme A

Downstream raw materials:

(2RS)-methylmalonyl-CoA

N-propionylglycine

coenzyme A

N-<2-(1H-indol-3-yl)ethyl>propanamide

Refernces

• 1、 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.
• 2、 Baker, Perrin,Carere, Jason,Seah, Stephen Y. K.. "Substrate specificity, substrate channeling, and allostery in BphJ: An acylating aldehyde dehydrogenase associated with the pyruvate aldolase BphI". experimental part. p. 4558 - 4567. Retrieved 2012/09/10.