1-Eicosanoyl-sn-glycero-3-phosphocholine
Grundinformationen
- CAS
108341-80-6- Standard-SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C- InChIKey
UATOAILWGVYRQS-HHHXNRCGSA-N- Summenformel
- C28H58NO7P
- Durchschnittliche Molmasse
- 551,7 g/mol
- Monoisotopische Masse
- 551,39509019
Überblick
1-icosanoyl-sn-glycero-3-phosphocholine is a 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as icosanoyl. It is a 1-O-acyl-sn-glycero-3-phosphocholine and a lysophosphatidylcholine 20:0. It is functionally related to an icosanoic acid.
Namen und Bezeichner
- Bevorzugter Name
- 1-Eicosanoyl-sn-glycero-3-phosphocholine
- IUPAC
- [(2R)-2-hydroxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- Englischer Name
- 1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine
- Summenformel
- C28H58NO7P
- Molmasse
- 551.75
Namen und Synonyme
1-eicosanoyl-sn-glycero-3-phosphocholine[(2R)-2-hydroxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate((2R)-2-hydroxy-3-icosanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphateRefChem:1055356108341-80-61-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine1-arachidoyl-sn-glycero-3-phosphocholineLPC(20:0)3,5,9-Trioxa-4-phosphanonacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-LysoPC(20:0)LPC(20:0/0:0)Lysophosphatidylcholine(20:0)
Weitere Namen anzeigen
Lyso PC(20:0/0:0)LYSO-PC 20:0(95% CP)UNLABELED(R)-2-hydroxy-3-(icosanoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
LysoPC(20:0/0:0)PC(20:0/0:0)Lysophosphatidylcholine(20:0/0:0)1-arachidonyl-glycero-3-phosphocholine1-icosanoyl-sn-glycero-3-phosphocholine(2-{[(2R)-2-hydroxy-3-(icosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium20:0 Lyso PCLPC 20:0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,7
- Polarare Oberfläche (TPSA)
- 105 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 28
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 575
Experimentelle und physikochemische Eigenschaften
Lipids
Lipids -> Unambiguous Lipids
Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Monoacylglycerophosphocholines [GP0105]
Physical DescriptionSolid
Collision Cross Section
244.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids]
248.29 Ų [M+CH3COO]- [CCS Type: TIMS; Method: single field calibrated]
248.6 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
243.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
257.7 Ų [M+HCOO]- [CCS Type: TIMS; Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]
Physikochemische Eigenschaften
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Solid
- Farbe
- White to off-white
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
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