In-Silico Structure Database (LMISSD)
Common Name
PA(14:0/9:0(9Ke))
Systematic Name
1-tetradecanoyl-2-(9-oxo-nonanoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AJN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
536.311423
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
XFGZDHTYKUAFHY-XMMPIXPASA-N
InChi (Click to copy)
InChI=1S/C26H49O9P/c1-2-3-4-5-6-7-8-9-10-13-16-19-25(28)33-22-24(23-34-36(30,31)32)35-26(29)20-17-14-11-12-15-18-21-27/h21,24H,2-20,22-23H2,1H3,(H2,30,31,32)/t24-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCC=O)=O)COC(CCCCCCCCCCCCC)=O