In-Silico Structure Database (LMISSD)
Common Name
PI(O-16:1(11Z)/26:2(5Z,9Z))
Systematic Name
1-(11Z-hexadecenyl)-2-(5Z,9Z-hexacosadienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AI4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
930.656118
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
HVARWRAWGXWHMB-WLQWZFGGSA-N
InChi (Click to copy)
InChI=1S/C51H95O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-45(52)62-44(42-60-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2)43-61-64(58,59)63-51-49(56)47(54)46(53)48(55)50(51)57/h10,12,26-27,32,34,44,46-51,53-57H,3-9,11,13-25,28-31,33,35-43H2,1-2H3,(H,58,59)/b12-10-,27-26-,34-32-/t44-,46?,47-,48?,49?,50?,51-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCC/C=C\CCCC