In-Silico Structure Database (LMISSD)
Common Name
PI(O-14:0/7:1(5E)(4OH,7Ke))
Systematic Name
1-tetradecyl-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059EON
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
670.332948
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
OGWJYMBWNUXQGS-SORXYLAESA-N
InChi (Click to copy)
InChI=1S/C30H55O14P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-41-20-23(43-24(33)17-16-22(32)15-14-18-31)21-42-45(39,40)44-30-28(37)26(35)25(34)27(36)29(30)38/h14-15,18,22-23,25-30,32,34-38H,2-13,16-17,19-21H2,1H3,(H,39,40)/b15-14+/t22?,23-,25?,26-,27?,28?,29?,30-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC(O)/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCC