In-Silico Structure Database (LMISSD)
Common Name
PI(O-16:1(11Z)/28:0)
Systematic Name
1-(11Z-hexadecenyl)-2-octacosanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AI6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
962.718718
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
PPMBSBIQSWBBQD-ALVMDHRDSA-N
InChi (Click to copy)
InChI=1S/C53H103O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-47(54)64-46(44-62-43-41-39-37-35-33-31-18-16-14-12-10-8-6-4-2)45-63-66(60,61)65-53-51(58)49(56)48(55)50(57)52(53)59/h10,12,46,48-53,55-59H,3-9,11,13-45H2,1-2H3,(H,60,61)/b12-10-/t46-,48?,49-,50?,51?,52?,53-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCC/C=C\CCCC