In-Silico Structure Database (LMISSD)
Common Name
PI(O-18:0/20:3(5Z,8Z,11Z))
Systematic Name
1-octadecyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AMZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
874.593518
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
DPHHBAOGUWJBCG-VUKWMCOMSA-N
InChi (Click to copy)
InChI=1S/C47H87O12P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(48)58-40(39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53)38-56-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,40,42-47,49-53H,3-16,18,20-21,23,25-27,29,31-39H2,1-2H3,(H,54,55)/b19-17-,24-22-,30-28-/t40-,42?,43-,44?,45?,46?,47-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCCCCCC