N-Palmitoyl Taurine
Grundinformationen
- CAS
83982-06-3- Standard-SMILES
CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O- InChIKey
LPDJCYFKKSLKRO-UHFFFAOYSA-N- Summenformel
- C18H37NO4S
- Durchschnittliche Molmasse
- 363,6 g/mol
- Monoisotopische Masse
- 363,24432984
Überblick
N-hexadecanoyltaurine is a fatty acid-taurine conjugate derived from hexadecanoic acid. It has a role as a mouse metabolite. It is functionally related to a hexadecanoic acid. It is a conjugate acid of a N-hexadecanoyltaurine(1-).
Namen und Bezeichner
- Bevorzugter Name
- N-Palmitoyl Taurine
- IUPAC
- 2-(hexadecanoylamino)ethanesulfonic acid
- Englischer Name
- 2-[(1-Oxohexadecyl)amino]ethanesulfonic acid
- Summenformel
- C18H37NO4S
- Molmasse
- 363.56
Namen und Synonyme
N-Palmitoyl Taurine2-(hexadecanoylamino)ethanesulfonic acidRefChem:109205183982-06-3N-hexadecanoyl-taurineN-PalmitoyltaurineN-hexadecanoyltaurine2-(hexadecanoylamino)ethane-1-sulfonic acidC18H37NO4S2-[(1-Oxohexadecyl)amino]ethanesulfonic acidn-palmitoyl-taurineTaurine Impurity 2
Weitere Namen anzeigen
Ethanesulfonic acid, 2-[(1-oxohexadecyl)amino]-
SCHEMBL258718orb2283685DTXSID50561075CHEBI:132477LPDJCYFKKSLKRO-UHFFFAOYSA-NHMS3649F16NAT 16:0LMFA08020080
Datenbank-Bezeichner
- CAS
83982-06-3- PubChem CID
- 14504290
- DTXSID
DTXSID50561075- ChEBI
CHEBI:132477
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,8
- Polarare Oberfläche (TPSA)
- 91,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 17
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 390
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amines [FA0802]
Physikochemische Eigenschaften
- Dichte
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- Aggregatzustand
- A crystalline solid
- pka
- 1.42 · 1.42±0.50(Predicted)
- Farbe
- White to off-white
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsPlacenta
Anwendungen
BeschreibungSeveral different arachidonoyl amino acids, including N-arachidonoyl dopamine (NADA) and N-arachidonoyl serine (ARA-S), have been isolated and characterized from bovine brain. During mass spectral lipidomic analysis of rat brain, a series of fatty acyl amides of a third amino acid, taurine, was discovered. N-Palmitoyl taurine is a prominent amino-acyl endocannabinoid isolated from rat brain during lipidomics profiling. Its function is currently under investigation.
VerwendenN-Palmitoyl Taurine is a prominent amino-acyl endocannabinoid.
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