In-Silico Structure Database (LMISSD)
Common Name
PI(10:0/6:1(4E)(6Ke))
Systematic Name
1-decanoyl-2-(6-oxo-4E-hexenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059ABS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
598.239048
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
UGRDYAWYAPATSL-YXBLYTCPSA-N
InChi (Click to copy)
InChI=1S/C25H43O14P/c1-2-3-4-5-6-7-9-12-18(27)36-15-17(38-19(28)13-10-8-11-14-26)16-37-40(34,35)39-25-23(32)21(30)20(29)22(31)24(25)33/h8,11,14,17,20-25,29-33H,2-7,9-10,12-13,15-16H2,1H3,(H,34,35)/b11-8+/t17-,20?,21-,22?,23?,24?,25-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCC)=O