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Acetyl coenzyme A trilithium salt - 85%, high purity , CAS No.75520-41-1
Basic Description
Synonyms
DTXSID70585056 | 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 |
Specifications & Purity
≥85%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Acetyl Coenzyme A Trilithium Salt Trihydrate is an essential cofactor and carrier of acyl groups in enzymatic acetyl transfer reactions. It is also the precursor for lipid biosynthesis and the neurotransmitter acetylcholine.
product description：
Carrier of acyl groups for enzymatic reactions involving fatty acid synthesis and oxidation and in biological acetylations.
Carrier of acyl groups in enzymatic reactions in fatty acid synthesis and oxidation and in biological acetylations.
Taxonomic Classification
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.
Names and Identifiers
Pubchem Sid
504768376
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504768376
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
INCHI
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
InChIKey
FTRFBNATWBKIQU-JHJDYNLLSA-K
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
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
PubChem CID
16218870
Molecular Weight
827.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water (100 mg/ml).aqueous buffer, ph 4-6: 1 mg/mL
Refractive Index
n20D~1.72 (Predicted)
Molecular Weight
827.500 g/mol
XLogP3
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
Citations of This Product
1.
Liu Xinning, Liu Yuanchang, Zhao Guangjian, Zhang Yidan, Liu Lu, Wang Juan, Wang Yifan, Zhang Siyu, Li Xin, Guo Dongliang, Wang Peng, Xu Ximing.
(2021)
Biochemical Characterization of Arylamine N-acetyltransferases From Vibrio vulnificus. Frontiers in Microbiology,
11
2.
Yan Chen, Huanshun Yin, Fei Li, Jie Zhou, Lingsong Wang, Jun Wang, Shiyun Ai.
(2020)
Polydopamine-sensitized WS2/black-TiO2 heterojunction for histone acetyltransferase detection with enhanced visible-light-driven photoelectrochemical activity. CHEMICAL ENGINEERING JOURNAL,
393
(124707).
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2 Citations
L2121357