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Coenzym A
COA · COA-SH · COENZYME A HYDRATE · Coalip · Lucina · Aluzime · Thiol-CoA · SHUIRUJIE
Identifikatoren & physikalische Daten
| CAS No. | 85-61-0 |
|---|---|
| Summenformel | C21H36N7O16P3S |
| Durchschnittliche Molmasse | 767,5 g/mol |
| Monoisotopische Masse | 767,11520896 g/mol |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS |
| InChIKey | RGJOEKWQDUBAIZ-IBOSZNHHSA-N |
| PubChem CID | 87642 |
| ChEMBL | CHEMBL1213327 |
| ChEBI | CHEBI:15346 |
| EC No. | 201-619-0 |
| DTXSID | DTXSID9048302 |
| Lokaler Name | Coenzym A |
Chemische & physikalische Eigenschaften
| XLogP | -5,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 348 |
| H-Brücken-Donoren | 10 |
| H-Brücken-Akzeptoren | 21 |
| Frei drehbare Bindungen | 18 |
| Schwere Atome | 48 |
| Formalladung | 0 |
| Komplexität | 1.270 |
| Stoffklassen | Biological Agents -> Other Biomolecules |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Kosmetika | EmollientSolvent |
| Physical Description | White solid[Merck Index] White powder[Avanti Polar Lipids MSDS] |
| Collision Cross Section | 255.5 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]241.54 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| Dichte | 1.96±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | PBS (pH 7.2): 10 mg/ml |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | 9.6 (thiol)pK 6.4 (secondary phosphate)pK 4.0 (adenine NH3+) |
| Farbe | White to light yellow |
| Biologische Quelle | yeast |
| Merck | 13,2491 |
| BRN | 77809 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChIKey | RGJOEKWQDUBAIZ-IBOSZNHHSA-N |
| SMILES | SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](O)[C@@H]1OP(=O)(O)O)(C)C)O |
| LogP (Verteilungskoeffizient) | -4.358 (est) |
| EPA chemische Informationen | Coenzyme A (85-61-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.2% (2 of 32) of reports.WarningH315 (93.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 32 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Coenzyme A: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | Rapidly oxidizes in air forming the catalytically inactive disulfide[Merck Index] May cause irritation[Avanti Polar Lipids MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (93.8%) |
| F | 1-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933299090 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Coenzyme A (CoA) is an essential cofactor functioning as an acyl group carrier and carbonyl-activating group for the citric acid cycle and fatty acid metabolism. About 4% of cellular enzymes utilize CoA as a substrate. It is synthesized from pantothenic acid in a 5-step process that requires ATP. The pantothenate kinase step of the CoA biosynthetic pathway has been identified as a target for the development of antibacterial compounds.
Verwenden
A hydrated form of Coenzyme A (CoA) is a useful biochemical research chemical, used in the preparation of high-yielding cell-free protein synthesis platforms.