Acetyl coenzyme A lithium salt - ≥93%(HPLC) , CAS No.32140-51-5

CAS: 32140-51-5 Cat. No.: A432621 Molecular Weight: 809.57 (free acid basis) EC Number: 631-193-5

GRADE & PURITY ≥93%(HPLC)

Synonyms

Acetyl-CoA, Acetyl-S-CoA Li₃

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Gene Information

human ... CHAT(1103), HAT1(8520), KAT2A(2648), KAT2B(8850), KAT5(10524)mouse ... HAT1(107435), KAT2A(14534), KAT2B(18519), KAT5(81601)rat ... HAT1(296501), KAT2A(303539), KAT2B(301164), KAT5(192218)

Application

Acetyl coenzyme A is suitable in CAT reporter assay for the measurement of chloramphenicol acetyltransferase by incubating the cell extract with 0.1 μCi [ 14 C] chloramphenicol and 0.5mM acetyl-CoA. An essential cofactor in enzymatic acetyl transfer reactions.

Specifications

Synonyms

Acetyl-CoA, Acetyl-S-CoA Li₃

Specifications & Purity

≥93%(HPLC)

Biochemical and Physiological Mechanisms

Alterations in the gene encoding acetyl-CoA have been linked to Alzheimer′s disease and mild cognitive impairment. Defects in the gene cause myasthenic syndrome associated with episodic apnea. Acetyl-CoA is an essential cofactor and carrier of acyl group

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥93%(HPLC)

Names and Identifiers

• Canonical Smiles: [Li+].[Li+].[Li+].CC(=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
• IUPAC Name: trilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] hydrogen phosphate
• InChIKey: FTRFBNATWBKIQU-JHJDYNLLSA-K
• INCHI: 1S/C23H38N7O17P3S.3Li/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;;;/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38);;;/q;3*+1/p-3/t13-,16-,17-,18+,22-;;;/m1.../s1
• Isomeric SMILES: [Li+].[Li+].[Li+].CC(=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
• WGK Germany: 3
• Alternate CAS: 75520-41-1
• Molecular Weight: 809.57 (free acid basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acyl thioesters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acyl thioesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl CoAs
• Alternative Parents: Coenzyme A and derivatives Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines Beta amino acids and derivatives Monosaccharide phosphates 6-aminopurines Organic pyrophosphates Aminopyrimidines and derivatives Alkyl phosphates N-substituted imidazoles N-acyl amines Imidolactams Tetrahydrofurans Heteroaromatic compounds Carbothioic S-esters Secondary alcohols Secondary carboxylic acid amides Thioesters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic lithium salts Carbonyl compounds Organopnictogen compounds Organic zwitterions Organic oxides Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coenzyme a or derivatives - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Pentose-5-phosphate - Pentose phosphate - Beta amino acid or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Monosaccharide phosphate - Organic pyrophosphate - Purine - Imidazopyrimidine - Aminopyrimidine - Fatty amide - Monosaccharide - N-acyl-amine - N-substituted imidazole - Organic phosphoric acid derivative - Imidolactam - Phosphoric acid ester - Alkyl phosphate - Pyrimidine - Imidazole - Azole - Heteroaromatic compound - Tetrahydrofuran - Carbothioic s-ester - Thiocarboxylic acid ester - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid derivative - Organic lithium salt - Oxacycle - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Amine - Organic oxygen compound - Organic zwitterion - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: H2O: soluble 100mg/mL, clear, colorless
• Sensitivity: Moisture sensitive.
• Molecular Weight: 827.500 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 20
• Exact Mass: 827.15 Da
• Monoisotopic Mass: 827.15 Da
• Topological Polar Surface Area: 397.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3