In-Silico Structure Database (LMISSD)
Common Name
PI(O-20:1(11Z)/18:1(11E))
Systematic Name
1-(11Z-eicosenyl)-2-(11E-octadecenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AVG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
876.609168
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
HRVQMKHXLXTZRC-YHJXKELUSA-N
InChi (Click to copy)
InChI=1S/C47H89O12P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-56-38-40(39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53)58-41(48)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h14,16-17,19,40,42-47,49-53H,3-13,15,18,20-39H2,1-2H3,(H,54,55)/b16-14+,19-17-/t40-,42?,43-,44?,45?,46?,47-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCCCC