In-Silico Structure Database (LMISSD)
Common Name
PI(P-18:0/22:6(4Z,8E,10Z,13Z,16Z,19Z)(7OH))
Systematic Name
1-(1Z-octadecenyl)-2-(7-HDoHE)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059FN7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
910.557133
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
OVEYCRFMUWVNGI-GAMHWFSZSA-N
InChi (Click to copy)
InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-34-38-59-39-42(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)37-33-30-32-36-41(50)35-31-28-26-24-22-20-16-14-12-10-8-6-4-2/h6,8,12,14,20,22,26,28,30-32,34-35,38,41-42,44-50,52-56H,3-5,7,9-11,13,15-19,21,23-25,27,29,33,36-37,39-40H2,1-2H3,(H,57,58)/b8-6-,14-12-,22-20-,28-26-,32-30-,35-31+,38-34-/t41?,42-,44?,45-,46?,47?,48?,49-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C=C\CCCCCCCCCCCCCCCC