Glutaryl coenzyme A

Base Information

• Chemical Name: Glutaryl coenzyme A
• CAS No.: 3131-84-8
• Molecular Formula: C₂₆H₄₂N₇O₁₉P₃S
• Molecular Weight: 881.642
• European Community (EC) Number: 634-420-6
• DSSTox Substance ID: DTXSID30953358
• Nikkaji Number: J1.127.261D
• Mol file: 3131-84-8.mol

Synonyms:Glutaryl coenzyme A;Coenzyme A, S-(hydrogen glutarate);Glutaryl coenzyme A Litium salt;DTXSID30953358;SYKWLIJQEHRDNH-KRPIADGTSA-N;5-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-5-oxopentanoic acid;103192-48-9;9-{5-O-[{[(4-{[3-({2-[(4-Carboxybutanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine

Chemical Property of Glutaryl coenzyme A

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 1.16±0.50(Predicted)
• Flash Point: °C
• PSA: 462.64000
• Density: 1.88g/cm³
• LogP: 1.18140
• XLogP3: -5.8
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 24
• Exact Mass: 881.14690430
• Heavy Atom Count: 56
• Complexity: 1530

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O
• Isomeric SMILES: CC(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)C(C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O

Technology Process of Glutaryl coenzyme A

There total 3 articles about Glutaryl 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:

1,5-pentanedioic acid (110-94-1) + coenzyme A (85-61-0) → glutaryl-CoA (3131-84-8)

Guidance literature:

With 1,4-dithio-L-threitol; recombinant acyl-coenzyme A ligase; ATP; magnesium chloride; In aq. phosphate buffer; at 30 ℃; for 2h; pH=8; Inert atmosphere; Enzymatic reaction;

DOI:10.1021/acs.orglett.0c03600

Reference yield:

succinyl-coenzyme A (604-98-8) → glutaryl-CoA (3131-84-8)

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:

1,5-pentanedioic acid (110-94-1) + acetylcoenzyme A (72-89-9) → glutaryl-CoA (3131-84-8)

Guidance literature:

With Acetobacter aceti succinyl-CoA:acetate CoA transferase C-terminal hexahistidine-tagged; In aq. buffer; pH=8; Concentration; Kinetics; Enzymatic reaction;

DOI:10.1021/bi300957f

upstream raw materials:

1,5-pentanedioic acid

acetylcoenzyme A

succinyl-coenzyme A

coenzyme A

Refernces

• 1、 Mullins, Elwood A.,Kappock, T. Joseph. "Crystal structures of Acetobacter aceti succinyl-coenzyme A (CoA):Acetate CoA-transferase reveal specificity determinants and illustrate the mechanism used by class i CoA-transferases". . p. 8422 - 8434. Retrieved 2013/01/15.