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Chemical structure of C17 Sphingomyelin (d18:1/17:0)

GC43043

C17 Sphingomyelin (d18:1/17:0)

Also known as [(E,2S,3R)-2-(heptadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

C17 Sphingomyelin is a synthetic derivative of sphingomyelin that has been used as an internal standard for the quantification of sphingomyelin

ChemicalCAS121999-64-2MW717.1FormulaC40H81N2O6P
CAS number
121999-64-2
Molecular weight
717.1
Formula
C40H81N2O6P
Solubility
Chloroform： Soluble,Methanol： Soluble
InChIKey
YMQZQHIESOAPQH-JXGHDCMNSA-N
Catalogue number
GC43043
Brand
GLPBIO
Computed properties PubChem CID 46891763 · XLogP 12.8 · TPSA 108 Ų · H-bond donors 2
XLogP
12.8
TPSA
108 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
37
Heavy atoms
49

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

Computed descriptors from PubChem (CID 46891763), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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