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

GC42041

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

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

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

ChemicalCAS154436-48-3MW842.1FormulaC46H84NO10P
CAS number
154436-48-3
Molecular weight
842.1
Formula
C46H84NO10P
Solubility
Ethanol： 30 mg/mL,Ethanol：PBS (pH 7·2)(1：2)： 0·3 mg/mL
InChIKey
VZVJELKWXFHACO-MYWIMKJPSA-N
Catalogue number
GC42041
Brand
GLPBIO
Computed properties PubChem CID 156593958 · XLogP 12.5 · TPSA 141 Ų · H-bond donors 1
XLogP
12.5
TPSA
141 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
43
Heavy atoms
58

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)OO

Computed descriptors from PubChem (CID 156593958), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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