In-Silico Structure Database (LMISSD)
Common Name
PI(O-22:1(9Z)/18:4(9E,11E,13E,15E))
Systematic Name
1-(9Z-docosenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029A9S
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
898.593518
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
DNMCYGSLGIFLEU-WGNBAXSJSA-N
InChi (Click to copy)
InChI=1S/C49H87O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-58-40-42(41-59-62(56,57)61-49-47(54)45(52)44(51)46(53)48(49)55)60-43(50)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h6,8,10,12,14,16,18,22-24,42,44-49,51-55H,3-5,7,9,11,13,15,17,19-21,25-41H2,1-2H3,(H,56,57)/b8-6+,12-10+,16-14+,23-22-,24-18+/t42-,44?,45-,46?,47?,48?,49-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/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)COCCCCCCCC/C=C\CCCCCCCCCCCC