In-Silico Structure Database (LMISSD)
Common Name
PC(P-20:1(11Z)/13:3(5Z,8E,11E)(10OH,13Ke))
Systematic Name
1-(1Z,11Z-eicosadienyl)-2-(10-hydroxy-13-oxo-5Z,8E,11E-tridecatrienoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019FUR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
753.494472
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
GLLDDGMEEYLEEG-FCZKLBLNSA-N
InChi (Click to copy)
InChI=1S/C41H72NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-28-35-48-37-40(38-50-52(46,47)49-36-33-42(2,3)4)51-41(45)32-27-24-21-20-23-26-30-39(44)31-29-34-43/h12-13,20-21,26,28-31,34-35,39-40,44H,5-11,14-19,22-25,27,32-33,36-38H2,1-4H3/b13-12-,21-20-,30-26+,31-29+,35-28-/t39?,40-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C/C(O)/C=C/C=O)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCC