In-Silico Structure Database (LMISSD)
Common Name
PC(16:1(7Z)/18:2(9Z,15Z)(12OH[R]))
Systematic Name
1-(7Z-hexadecenoyl)-2-(12R-HODE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ARS
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)
RGFHOLASTDUIIQ-SUCVQRFCSA-N
InChi (Click to copy)
InChI=1S/C42H78NO9P/c1-6-8-10-12-13-14-15-16-17-18-22-25-29-33-41(45)49-37-40(38-51-53(47,48)50-36-35-43(3,4)5)52-42(46)34-30-26-23-20-19-21-24-28-32-39(44)31-27-11-9-7-2/h9,11,16-17,24,28,39-40,44H,6-8,10,12-15,18-23,25-27,29-38H2,1-5H3/b11-9-,17-16-,28-24-/t39-,40-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\C[C@H](O)CC/C=C\CC)=O)COC(CCCCC/C=C\CCCCCCCC)=O