In-Silico Structure Database (LMISSD)
Common Name
PA(10:0/7:1(5E)(4OH,7OH,7Ke))
Systematic Name
1-decanoyl-2-(4-hydroxy-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079ABW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
482.191703
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
CXQAMGZMYJOPMP-MIEXTQJLSA-N
InChi (Click to copy)
InChI=1S/C20H35O11P/c1-2-3-4-5-6-7-8-9-19(24)29-14-17(15-30-32(26,27)28)31-20(25)13-11-16(21)10-12-18(22)23/h10,12,16-17,21H,2-9,11,13-15H2,1H3,(H,22,23)(H2,26,27,28)/b12-10+/t16?,17-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O