In-Silico Structure Database (LMISSD)
Common Name
PI(10:0/18:2(8E,12Z)(10OH[R]))
Systematic Name
1-decanoyl-2-(10R-HODE)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059AAM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
766.426848
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
SFBPUTAERGZSGY-OUINJAQFSA-N
InChi (Click to copy)
InChI=1S/C37H67O14P/c1-3-5-7-9-11-16-20-24-30(39)48-26-29(27-49-52(46,47)51-37-35(44)33(42)32(41)34(43)36(37)45)50-31(40)25-21-17-13-12-15-19-23-28(38)22-18-14-10-8-6-4-2/h14,18-19,23,28-29,32-38,41-45H,3-13,15-17,20-22,24-27H2,1-2H3,(H,46,47)/b18-14-,23-19+/t28-,29-,32?,33-,34?,35?,36?,37-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCC/C=C/[C@H](O)C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCC)=O