In-Silico Structure Database (LMISSD)
Common Name
PC(15:1(9Z)/20:4(5Z,8Z,12E,14Z)(11Ke))
Systematic Name
1-(9Z-pentadecenoyl)-2-(11-oxo-ETE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AOD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
779.510122
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
JRVCIAHNKOIDSZ-IPGVQRHVSA-N
InChi (Click to copy)
InChI=1S/C43H74NO9P/c1-6-8-10-12-14-15-16-17-18-22-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44(3,4)5)53-43(47)35-31-27-23-19-21-25-29-33-40(45)32-28-24-20-13-11-9-7-2/h14-15,19-20,23-25,28-29,32,41H,6-13,16-18,21-22,26-27,30-31,33-39H2,1-5H3/b15-14-,23-19-,24-20-,29-25-,32-28+/t41-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\CC(=O)/C=C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O