HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
heptadecanoyl-CoA
17:0 Coenzyme A · heptadecanoyl-CoA · S-Heptadecanoyl CoA · N-heptadecanoyl coenzyme A · Coenzyme A, S-heptadecanoate · N-HEPTADECANOYL COENZYME A (C17:0) · N-HEPTADECANOYL COENZYME A LITHIUM SALT · n-Heptadecanoyl coenzyme A lithium salt >=90%
Identifikatoren & physikalische Daten
| CAS No. | 3546-17-6 |
|---|---|
| Summenformel | C38H68N7O17P3S |
| Durchschnittliche Molmasse | 1.020 g/mol |
| Monoisotopische Masse | 1.019,36052589 g/mol |
| SMILES | CCCCCCCCCCCCCCCCC(=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 | DRABUZIHHACUPI-DUPKZGIXSA-N |
| PubChem CID | 3082004 |
| ChEBI | CHEBI:74397 |
| DTXSID | DTXSID201316404 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 389 |
| H-Brücken-Donoren | 9 |
| H-Brücken-Akzeptoren | 22 |
| Frei drehbare Bindungen | 35 |
| Schwere Atome | 66 |
| Formalladung | 0 |
| Komplexität | 1.640 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705] |
| Physical Description | Solid |
| Dichte | 1.533±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Lagerbedingungen | -20°C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 1.157±0.50(predicted) |
| Farbe | White to off-white |
| InChIKey | DRABUZIHHACUPI-UVICFMDKSA-N |
| SMILES | CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
17:0 Coenzyme A or heptadecanoyl Coenzyme A (ammonium salt) has been used as an internal standard for long-chain acyl-CoA (LCACoA) analysis by liquid chromatography/tandem mass spectrometry. It has also been used as an internal standard to measure the percentage recovery of fatty acyl-CoAs by high performance liquid chromatography.