In-Silico Structure Database (LMISSD)
Common Name
PI(14:0/9:0(9Ke))
Systematic Name
1-tetradecanoyl-2-(9-oxo-nonanoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059AJN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
698.364248
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
YFTLCMVXHPNNEE-BKZSMDOWSA-N
InChi (Click to copy)
InChI=1S/C32H59O14P/c1-2-3-4-5-6-7-8-9-10-13-16-19-25(34)43-22-24(45-26(35)20-17-14-11-12-15-18-21-33)23-44-47(41,42)46-32-30(39)28(37)27(36)29(38)31(32)40/h21,24,27-32,36-40H,2-20,22-23H2,1H3,(H,41,42)/t24-,27?,28-,29?,30?,31?,32-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCC=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCCC)=O