In-Silico Structure Database (LMISSD)
Common Name
PC(P-20:1(11Z)/8:0(8OH,8Ke))
Systematic Name
1-(1Z,11Z-eicosadienyl)-2-(8-Carboxy-heptanoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019FV6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
689.463172
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
HNSVJFAKUWWTBJ-QJSSNFTMSA-N
InChi (Click to copy)
InChI=1S/C36H68NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-30-43-32-34(33-45-47(41,42)44-31-29-37(2,3)4)46-36(40)28-25-22-21-24-27-35(38)39/h12-13,26,30,34H,5-11,14-25,27-29,31-33H2,1-4H3,(H-,38,39,41,42)/b13-12-,30-26-/t34-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC(=O)O)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCC