In-Silico Structure Database (LMISSD)
Common Name
PA(14:0/7:1(5E)(4Ke,7OH,7Ke))
Systematic Name
1-tetradecanoyl-2-(4-keto-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AJE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
536.238653
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
LTOKKJYYLKWXSX-DGWAXEAPSA-N
InChi (Click to copy)
InChI=1S/C24H41O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-23(28)33-18-21(19-34-36(30,31)32)35-24(29)17-15-20(25)14-16-22(26)27/h14,16,21H,2-13,15,17-19H2,1H3,(H,26,27)(H2,30,31,32)/b16-14+/t21-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCCCCCC)=O