In-Silico Structure Database (LMISSD)
Common Name
PC(14:1(9Z)/2:0)
Systematic Name
1-(9Z-tetradecenoyl)-2-acetyl-sn-glycero-3-phosphocholine
LM ID
LMGP20019AKA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
507.296107
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
LHBFPYJQEGXURM-DJYGDJEFSA-N
InChi (Click to copy)
InChI=1S/C24H46NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-24(27)30-20-23(33-22(2)26)21-32-34(28,29)31-19-18-25(3,4)5/h9-10,23H,6-8,11-21H2,1-5H3/b10-9-/t23-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(C)=O)COC(CCCCCCC/C=C\CCCC)=O