In-Silico Structure Database (LMISSD)
Common Name
PA(14:1(9Z)/18:2(10E,12Z)(9OH[S]))
Systematic Name
1-(9Z-tetradecenoyl)-2-(9S-HODE)-sn-glycero-3-phosphate
LM ID
LMGP20079AJ1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
658.420973
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
QSMAJXOBYVQGMM-PFGSBBQKSA-N
InChi (Click to copy)
InChI=1S/C35H63O9P/c1-3-5-7-9-11-12-13-14-16-20-24-28-34(37)42-30-33(31-43-45(39,40)41)44-35(38)29-25-21-17-19-23-27-32(36)26-22-18-15-10-8-6-4-2/h9,11,15,18,22,26,32-33,36H,3-8,10,12-14,16-17,19-21,23-25,27-31H2,1-2H3,(H2,39,40,41)/b11-9-,18-15-,26-22+/t32-,33-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC[C@H](O)/C=C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O