In-Silico Structure Database (LMISSD)
Common Name
PI(O-16:1(11Z)/20:4(5Z,8Z,10E,14Z))
Systematic Name
1-(11Z-hexadecenyl)-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AIG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
842.530918
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
RZAVBHFZNFNOKD-GKAQHRPHSA-N
InChi (Click to copy)
InChI=1S/C45H79O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(46)56-38(36-54-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)37-55-58(52,53)57-45-43(50)41(48)40(47)42(49)44(45)51/h10-13,19-22,26,28,38,40-45,47-51H,3-9,14-18,23-25,27,29-37H2,1-2H3,(H,52,53)/b12-10-,13-11-,20-19+,22-21-,28-26-/t38-,40?,41-,42?,43?,44?,45-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCC/C=C\CCCC