In-Silico Structure Database (LMISSD)
Common Name
PA(10:0/9:2(5E,7E)(4Ke,9Ke))
Systematic Name
1-decanoyl-2-(4,9-dioxo-5E,7E-nonadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AB5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
490.196788
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
UTSGRRXURGIDLJ-XQKCJFFWSA-N
InChi (Click to copy)
InChI=1S/C22H35O10P/c1-2-3-4-5-6-7-10-13-21(25)30-17-20(18-31-33(27,28)29)32-22(26)15-14-19(24)12-9-8-11-16-23/h8-9,11-12,16,20H,2-7,10,13-15,17-18H2,1H3,(H2,27,28,29)/b11-8+,12-9+/t20-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O