[(E,2S,3R)-3-Hydroxy-2-[[(Z)-Octadec-9-Enoyl]Amino]Octadec-4-Enyl] 2-Trimethylazaniumylethyl Phosphate
[CAS# 108392-10-5]

Identification

• Name: [(E,2S,3R)-3-Hydroxy-2-[[(Z)-Octadec-9-Enoyl]Amino]Octadec-4-Enyl] 2-Trimethylazaniumylethyl Phosphate
• Synonyms: [(E,2S,3R)-3-Hydroxy-2-[[(Z)-Octadec-9-Enoyl]Amino]Octadec-4-Enyl] 2-Trimethylammonioethyl Phosphate; [(E,2S,3R)-3-Hydroxy-2-[[(Z)-1-Oxooctadec-9-Enyl]Amino]Octadec-4-Enyl] 2-Trimethylammonioethyl Phosphate; N-Oleoyl-Sphingomyelin
• Molecular Formula: C₄₁H₈₁N₂O₆P
• Molecular Weight: 729.07
• CAS Registry Number: 108392-10-5
• SMILES: [C@@H](NC(=O)CCCCCCC\C=C/CCCCCCCC)([C@H](O)\C=C\CCCCCCCCCCCCC)CO[P](OCC[N+](C)(C)C)([O-])=O
• InChI: 1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,32,34,39-40,44H,6-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b21-20-,34-32+/t39-,40+/m0/s1
• InChIKey: NBEADXWAAWCCDG-QDDWGVBQSA-N