In-Silico Structure Database (LMISSD)
Common Name
PI(P-20:0/9:0(9OH,9Ke))
Systematic Name
1-(1Z-eicosenyl)-2-azeloyl-sn-glycero-3-phosphoinositol
LM ID
LMGP20059FUG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
782.458148
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
XTTZBKISAKIDSU-BKDBDECKSA-N
InChi (Click to copy)
InChI=1S/C38H71O14P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-49-28-30(51-32(41)26-23-20-18-19-22-25-31(39)40)29-50-53(47,48)52-38-36(45)34(43)33(42)35(44)37(38)46/h24,27,30,33-38,42-46H,2-23,25-26,28-29H2,1H3,(H,39,40)(H,47,48)/b27-24-/t30-,33?,34-,35?,36?,37?,38-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCC(=O)O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C=C\CCCCCCCCCCCCCCCCCC