In-Silico Structure Database (LMISSD)
Common Name
PC(15:1(9Z)/20:4(5Z,9E,11Z,14Z)(8Ke))
Systematic Name
1-(9Z-pentadecenoyl)-2-(8-Oxo-ETE)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AOF
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)
ZCNOLDDLWPZXOC-JYWAMHHOSA-N
InChi (Click to copy)
InChI=1S/C43H74NO9P/c1-6-8-10-12-14-16-18-19-21-23-25-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44(3,4)5)53-43(47)35-31-27-26-29-33-40(45)32-28-24-22-20-17-15-13-11-9-7-2/h14-17,22,24,26,28-29,32,41H,6-13,18-21,23,25,27,30-31,33-39H2,1-5H3/b16-14-,17-15-,24-22-,29-26-,32-28+/t41-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\CC(=O)/C=C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O