(2R,3S,4E)-2-(Heptadecanoylamino)-3-Hydroxy-4-Octadecen-1-Yl 2-(Trimethylammonio)Ethyl Phosphate
[CAS# 13053-57-1]

Identification

• Name: (2R,3S,4E)-2-(Heptadecanoylamino)-3-Hydroxy-4-Octadecen-1-Yl 2-(Trimethylammonio)Ethyl Phosphate
• Synonyms: Sphingomyelin d18:1-C17:0
• Molecular Formula: C₄₀H₈₁N₂O₆P
• Molecular Weight: 717.05
• CAS Registry Number: 13053-57-1
• SMILES: CCCCCCCCCCCCCCCCC(=O)N[C@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](/C=C/CCCCCCCCCCCCC)O
• InChI: 1S/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+/t38-,39+/m1/s1
• InChIKey: YMQZQHIESOAPQH-QSTWNKESSA-N

Properties

• Refractive index: (Cal.)