In-Silico Structure Database (LMISSD)
Common Name
PI(O-22:1(9Z)/17:1(9Z))
Systematic Name
1-(9Z-docosenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029A87
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
890.624818
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
BRSFHHUGAZHPGJ-FAEACJNYSA-N
InChi (Click to copy)
InChI=1S/C48H91O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-57-39-41(40-58-61(55,56)60-48-46(53)44(51)43(50)45(52)47(48)54)59-42(49)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h16,18,22-23,41,43-48,50-54H,3-15,17,19-21,24-40H2,1-2H3,(H,55,56)/b18-16-,23-22-/t41-,43?,44-,45?,46?,47?,48-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCC/C=C\CCCCCCCCCCCC