In-Silico Structure Database (LMISSD)
Common Name
PC(16:1(7Z)/18:2(8E,12Z)(10OH[R]))
Systematic Name
1-(7Z-hexadecenoyl)-2-(10R-HODE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ARM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
771.541422
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
IJKHEBJQEWITHR-ULUNIDFGSA-N
InChi (Click to copy)
InChI=1S/C42H78NO9P/c1-6-8-10-12-14-15-16-17-18-19-20-25-29-33-41(45)49-37-40(38-51-53(47,48)50-36-35-43(3,4)5)52-42(46)34-30-26-22-21-24-28-32-39(44)31-27-23-13-11-9-7-2/h17-18,23,27-28,32,39-40,44H,6-16,19-22,24-26,29-31,33-38H2,1-5H3/b18-17-,27-23-,32-28+/t39-,40-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCC/C=C/[C@H](O)C/C=C\CCCCC)=O)COC(CCCCC/C=C\CCCCCCCC)=O