Glutaryl coenzyme A

Base Information

• Chemical Name: Glutaryl coenzyme A
• CAS No.: 103192-48-9
• Molecular Formula: C26H42 N7 O19 P3 S . 2 Li
• Molecular Weight: 887.57
• European Community (EC) Number: 634-420-6
• DSSTox Substance ID: DTXSID30953358
• Nikkaji Number: J1.127.261D
• Mol file: 103192-48-9.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
• Flash Point: °C
• PSA: 458.49000
• Density: 1.88g/cm³
• LogP: -1.05210
• Storage Temp.: −20°C
• 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:

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

Glutaryl coenzyme A lithium salt ≥90% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

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
• Uses: Glutaryl coenzyme A lithium salt has been used:in comparative study of acylomes of β-Hydroxy β-methylglutaryl-CoA (HMG-CoA) and glutaryl-CoA by quantitative proteomics as a component of the assay buffer for in vitro biosensor activity experiments for FapR-NLuc proteins to test its effect on pyruvate kinase activity inhibition in a549 lysate