In-Silico Structure Database (LMISSD)
Common Name
PI(O-22:1(9Z)/19:0)
Systematic Name
1-(9Z-docosenyl)-2-nonadecanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029A9T
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
920.671768
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
BQHNXFQBDXKZHI-GFBBOTALSA-N
InChi (Click to copy)
InChI=1S/C50H97O12P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-59-41-43(42-60-63(57,58)62-50-48(55)46(53)45(52)47(54)49(50)56)61-44(51)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h23-24,43,45-50,52-56H,3-22,25-42H2,1-2H3,(H,57,58)/b24-23-/t43-,45?,46-,47?,48?,49?,50-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCC/C=C\CCCCCCCCCCCC