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Chemical structure of 13C C16 Sphingomyelin (d18:1/16:0)

GC41907

13C C16 Sphingomyelin (d18:1/16:0)

Also known as [(E,2S,3R)-2-((113C)hexadecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

13C C16 Sphingomyelin is an isotopically enriched form of C16 sphingomyelin with carbon-13 occurring on the fatty acid portion

ChemicalCAS144236-99-7MW704FormulaC38[13C]H79N2O6P
CAS number
144236-99-7
Molecular weight
704
Formula
C38[13C]H79N2O6P
Solubility
Chloroform： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
RWKUXQNLWDTSLO-UHDUVUCGSA-N
Catalogue number
GC41907
Brand
GLPBIO
Computed properties PubChem CID 137700334 · XLogP 12.3 · TPSA 108 Ų · H-bond donors 2
XLogP
12.3
TPSA
108 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
36
Heavy atoms
48

SMILES CCCCCCCCCCCCCCC[13C](=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O

Computed descriptors from PubChem (CID 137700334), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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