In-Silico Structure Database (LMISSD)
Common Name
PA(10:0/9:0(9Ke))
Systematic Name
1-decanoyl-2-(9-oxo-nonanoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AB3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
480.248823
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
KEVMILFLIYTUKB-HXUWFJFHSA-N
InChi (Click to copy)
InChI=1S/C22H41O9P/c1-2-3-4-5-6-9-12-15-21(24)29-18-20(19-30-32(26,27)28)31-22(25)16-13-10-7-8-11-14-17-23/h17,20H,2-16,18-19H2,1H3,(H2,26,27,28)/t20-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCC=O)=O)COC(CCCCCCCCC)=O