In-Silico Structure Database (LMISSD)
Common Name
PC(P-20:0/20:4(6E,8Z,11Z,14Z)(5Ke))
Systematic Name
1-(1Z-eicosenyl)-2-(5-Oxo-ETE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019FTL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
835.609107
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
AKVCZUZFCMXROQ-XXESMWNWSA-N
InChi (Click to copy)
InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-42-54-44-47(45-56-58(52,53)55-43-41-49(3,4)5)57-48(51)40-37-39-46(50)38-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h15,17,25,27,31,33,35-36,38,42,47H,6-14,16,18-24,26,28-30,32,34,37,39-41,43-45H2,1-5H3/b17-15-,27-25-,33-31-,38-35+,42-36-/t47-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCC