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Chemical structure of 1,2-bis(Heptanoylthio)glycerophosphocholine

GC41782

1,2-bis(Heptanoylthio)glycerophosphocholine

Also listed as 1,2-bis(heptanoylthio) Glycerophosphocholine

Diheptanoyl Thio-PC is a substrate for all phospholipase A2s (PLA2s) with the exception of cPLA2 and PAF-acetyl hydrolase (PAF-AH)

ChemicalCAS89019-63-6MW513.7FormulaC22H44NO6PS2
CAS number
89019-63-6
Molecular weight
513.7
Formula
C22H44NO6PS2
Solubility
DMF： 50 mg/ml; DMSO： 50 mg/ml; Ethanol： 25 mg/ml; PBS, pH 7·2： 62 µg/ml
InChIKey
LFFIJRJGKBSELO-FQEVSTJZSA-N
Catalogue number
GC41782
Brand
GLPBIO
Computed properties PubChem CID 57369907 · XLogP 4.8 · TPSA 143 Ų · H-bond donors 0
XLogP
4.8
TPSA
143 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
22
Heavy atoms
32

SMILES CCCCCCC(=O)SC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)CCCCCC

Computed descriptors from PubChem (CID 57369907), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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