In-Silico Structure Database (LMISSD)
Common Name
PC(P-20:1(11Z)/4:0(4Ke))
Systematic Name
1-(1Z,11Z-eicosadienyl)-2-(4-oxobutyryl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019FVT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
617.405657
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
LTNWSBZEMJTJFJ-UBMBFDESSA-N
InChi (Click to copy)
InChI=1S/C32H60NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-38-29-31(41-32(35)24-23-26-34)30-40-42(36,37)39-28-25-33(2,3)4/h12-13,22,26-27,31H,5-11,14-21,23-25,28-30H2,1-4H3/b13-12-,27-22-/t31-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC=O)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCC