In-Silico Structure Database (LMISSD)
Common Name
PI(10:0/4:0(4Ke))
Systematic Name
1-decanoyl-2-(4-oxobutyryl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059ABL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
572.223398
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
CYIXNMMTZKQJMS-CTPBXSAOSA-N
InChi (Click to copy)
InChI=1S/C23H41O14P/c1-2-3-4-5-6-7-8-10-16(25)34-13-15(36-17(26)11-9-12-24)14-35-38(32,33)37-23-21(30)19(28)18(27)20(29)22(23)31/h12,15,18-23,27-31H,2-11,13-14H2,1H3,(H,32,33)/t15-,18?,19-,20?,21?,22?,23-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCC)=O