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Chemical structure of 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-PC

GC42045

1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-PC

Also known as [(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-PC is a phospholipid containing stearic acid and docosahexaenoic acid at the sn-1 and sn-2 positions, respectively

ChemicalCAS59403-52-0MW834.2FormulaC48H84NO8P
CAS number
59403-52-0
Molecular weight
834.2
Formula
C48H84NO8P
Solubility
Chloroform： soluble
InChIKey
FAUYAENFVCNTAL-PFFNLMTBSA-N
Catalogue number
GC42045
Brand
GLPBIO
Computed properties PubChem CID 24778876 · XLogP 13.6 · TPSA 111 Ų · H-bond donors 0
XLogP
13.6
TPSA
111 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
42
Heavy atoms
58

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

Computed descriptors from PubChem (CID 24778876), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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