S-Acetylcoenzym A
acetyl CoA
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Grundinformationen
- CAS
72-89-9- Standard-SMILES
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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- InChIKey
ZSLZBFCDCINBPY-ZSJPKINUSA-N- Summenformel
- C23H38N7O17P3S
- Durchschnittliche Molmasse
- 809,6 g/mol
- Monoisotopische Masse
- 809,12577365
Überblick
Acetyl-CoA is an acyl-CoA having acetyl as its S-acetyl component. It has a role as a coenzyme, an effector, an acyl donor and a fundamental metabolite. It is functionally related to a coenzyme A and an acetic acid. It is a conjugate acid of an acetyl-CoA(4-).
Namen und Bezeichner
- Bevorzugter Name
- acetyl CoA
- IUPAC
- S-[2-[3-[[(2R)-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]ethyl] ethanethioate
- Lokaler Name
- S-Acetylcoenzym A
- Englischer Name
- ACETYL COENZYME A TRILITHIUM SALT TRIHYDRATE
- Summenformel
- C23H38N7O17P3S
- Molmasse
- 809.57
Namen und Synonyme
ACETYL COENZYME Aacetyl-CoAAcetyl CoA72-89-9S-Acetyl coenzyme ACoenzyme A, S-acetateS-acetyl-CoAS-acetyl-coenzyme A76Q83YLO3OCHEBI:15351DTXSID30992686S-[2-[3-[[(2R)-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]ethyl] ethanethioate
Weitere Namen anzeigen
S-acetylcoenzyme ACoenzyme A S-acetateZSLZBFCDCINBPY-ZSJPKINUSA-NACETYL COENZYME A TRILITHIUM SALT TRIHYDRATEDiphosphoric acid, mono[2-[1-(6-amino-9H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] ester, disodium salt, [R-(R*,R*)]- (9CI)Adenosine 3'-phosphoric acid 5'-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(acetylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester[2-[[[[3-[2-(2-acetylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -5,6
- Polarare Oberfläche (TPSA)
- 389 Ų
- H-Brücken-Donoren
- 9
- H-Brücken-Akzeptoren
- 22
- Frei drehbare Bindungen
- 20
- Schwere Atome
- 51
- Formalladung
- 0
- Komplexität
- 1.380
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]
Physical DescriptionSolid
Collision Cross Section
244.7 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
249.8 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
Physikochemische Eigenschaften
- Dichte
- 1.9 · 1.90±0.1 g/cm3(Predicted)
- storage temp.
- 0 °C · 0°C
- pka
- 1.16 · 1.16±0.50(Predicted)
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsAdipose Tissue
Cellular LocationsCytoplasm
Metabolite Pathways2-aminoadipic 2-oxoadipic aciduria
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: An acyl-CoA having acetyl as its S-acetyl component.
Zugehörige Reaktionen
11
Notizen zur Verbindung
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