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Chemical structure of 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine

GC68502

1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine

Also known as [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine can be chosen as a model volatile compound for studying the molecular species of oxidized phosphatidylcholines· This method was applied to actual food samples, namely soybean lecithin

ChemicalCAS27098-24-4MW786.11FormulaC44H84NO8P
CAS number
27098-24-4
Molecular weight
786.11
Formula
C44H84NO8P
Solubility
DMSO ： 83·33 mg/mL (106·00 mM; ultrasonic and adjust pH to 3 with HCl)
InChIKey
FORFDCPQKJHEBF-VPUSDGANSA-N
Catalogue number
GC68502
Brand
GLPBIO
Computed properties PubChem CID 6441487 · XLogP 14 · TPSA 111 Ų · H-bond donors 0
XLogP
14
TPSA
111 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
42
Heavy atoms
54

SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

Computed descriptors from PubChem (CID 6441487), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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