In-Silico Structure Database (LMISSD)
Common Name
PG(10:0/7:1(5E)(4OH,7OH,7Ke))
Systematic Name
1-decanoyl-2-(4-hydroxy-6-carboxy-5E-hexenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069ABW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
556.228483
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
DHJDGHDYMVPEQN-PKYCBVNGSA-N
InChi (Click to copy)
InChI=1S/C23H41O13P/c1-2-3-4-5-6-7-8-9-22(29)33-16-20(17-35-37(31,32)34-15-19(26)14-24)36-23(30)13-11-18(25)10-12-21(27)28/h10,12,18-20,24-26H,2-9,11,13-17H2,1H3,(H,27,28)(H,31,32)/b12-10+/t18?,19-,20+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O)(=O)O