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Chemical structure of N-Stearoylsphingomyelin

GC75377

N-Stearoylsphingomyelin

Also known as [(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

N-Stearoylsphingomyelin (N-Stearoyl-D-sphingomyelin) is a sphingolipid, which can inhibit Phospholipase Cδ1 (PLCδ1)

ChemicalCAS58909-84-5MW731.08FormulaC41H83N2O6P
CAS number
58909-84-5
Molecular weight
731.08
Formula
C41H83N2O6P
InChIKey
LKQLRGMMMAHREN-YJFXYUILSA-N
Catalogue number
GC75377
Brand
GLPBIO
Computed properties PubChem CID 6453725 · XLogP 13.4 · TPSA 108 Ų · H-bond donors 2
XLogP
13.4
TPSA
108 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
38
Heavy atoms
50

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

Computed descriptors from PubChem (CID 6453725), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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