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Chemical structure of 1-Stearoyl-2-15(S)-HETE-sn-glycero-3-PC

GC42039

1-Stearoyl-2-15(S)-HETE-sn-glycero-3-PC

Also known as [(2R)-2-[(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

1-Stearoyl-2-15(S)-HETE-sn-glycero-3-PC is a phospholipid that contains stearic acid at the sn-1 position and 15(S)-HETE at the sn-2 position

ChemicalCAS154436-51-8MW826.1FormulaC46H84NO9P
CAS number
154436-51-8
Molecular weight
826.1
Formula
C46H84NO9P
Solubility
Ethanol： 30 mg/mL,Ethanol：PBS (pH 7·2)(1：2)： 0·3 mg/mL
InChIKey
UPSDJHICKHQRIC-MYWIMKJPSA-N
Catalogue number
GC42039
Brand
GLPBIO
Computed properties PubChem CID 156593960 · XLogP 12.5 · TPSA 131 Ų · H-bond donors 1
XLogP
12.5
TPSA
131 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
42
Heavy atoms
57

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

Computed descriptors from PubChem (CID 156593960), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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