MSI_000053156

Unreliable

排名分数: 2.91
参考来源: DESI (NOVOCELL:BACKGROUND: blank)

M/z: 738.5588
Mass Window: 738.5588 ~ 738.5588 (none)

参考注释

SM C16:1_[M+Na]+ (BioDeep_00000896094)
{[(2S,3R,11E)-2-[(9E)-hexadec-9-enamido]-3-hydroxynonadec-11-en-1-yl]oxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid

Formula: C40H80N2O6P+ (715.5753690000001)
SMILES: CCCCCCC\C=C\CCCCCCC[C@@H](O)[C@H](COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C\CCCCCC

Sm c16:1 is classified as a member of the phosphocholines. Phosphocholines are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative. Sm c16:1 is considered to be a practically insoluble (in water) and a moderately acidic compound. Sm c16:1 can be found in blood and urine. Within a cell, Sm c16:1 is primarily located near the membrane (predicted from logp).