1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine
Basic information
- CAS
113881-60-0- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)CCCCCCCCCCCCCCC- InChIKey
CJNCGLSWHABGOT-KXQOOQHDSA-N- Molecular formula
- C40H80NO7PS
- Average molar mass
- 750.1 g/mol
- Monoisotopic mass
- 749.53931206
Overview
chromogenic substrate of phospholipase A2
Names & identifiers
- Preferred name
- 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine
- IUPAC
- [(2R)-3-hexadecanoyloxy-2-hexadecanoylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1-palmitoyl-2-thiopalmitoyl phosphatidylcholine
- Molecular formula
- C40H80NO7PS
- Molecular weight
- 750.11
Names & synonyms
113881-60-01-Palmitoyl-2-thiopalmitoyl phosphatidylcholine2-ThiopcRefChem:907787Palmitoyl Thio-PC[(2R)-3-hexadecanoyloxy-2-hexadecanoylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate(2-{[(2R)-3-(HEXADECANOYLOXY)-2-(HEXADECANOYLSULFANYL)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUMC40H80NO7PSorb1693049SCHEMBL29523034DTXSID50921231CJNCGLSWHABGOT-KXQOOQHDSA-N
Show more names
2-thiophosphatidylcholinePalmitoyl Thio-phosphocholine3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)thio]-, inner salt, 4-oxide, (R)- (9CI)
1-O-Hexadecanoyl-2-thio-R-(hexadecanoyl)-sn-glycerol-3-phosphocholineAKOS040755703HY-125744CS-0093851T37244[(2R)-3-hexadecanoyloxy-2-hexadecanoylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate3-(Hexadecanoyloxy)-2-(hexadecanoylsulfanyl)propyl 2-(trimethylazaniumyl)ethyl phosphate(2R)-3-(Hexadecanoyloxy)-2-(hexadecanoylsulfanyl)propyl 2-(trimethylazaniumyl)ethyl phosphate
Properties
Computed structural properties
- XLogP
- 14
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 40
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 831
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 50 mg/ml; · Ethanol: 50 mg/ml; Ethanol:PBS (pH 7.2) (1:1): 0.5 mg/ml
- form
- A crystalline solid
Chemistry & industry
Applications
UsesPalmitoyl Thio-phosphocholine is a highly specific chromogenic substrate of phospholipase A2.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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