In-Silico Structure Database (LMISSD)
Common Name
PI(O-20:1(11Z)/16:1(9Z))
Systematic Name
1-(11Z-eicosenyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AVB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
848.577868
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
XYPQDFWQGTVSDL-VSPAIZASSA-N
InChi (Click to copy)
InChI=1S/C45H85O12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-54-36-38(37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51)56-39(46)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h14,16-18,38,40-45,47-51H,3-13,15,19-37H2,1-2H3,(H,52,53)/b16-14-,18-17-/t38-,40?,41-,42?,43?,44?,45-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCCCC