In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](18:2(9Z,12Z)/16:1(7Z))
Systematic Name
1-(9Z,12Z-octadecadienoyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019HGR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
992.442849
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
KXKJDVWUEFZKOQ-LRLIHPQPSA-N
InChi (Click to copy)
InChI=1S/C43H79O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-43-39(47)41(60-63(49,50)51)38(46)42(40(43)48)61-64(52,53)54/h11,13,17-19,22,35,38-43,46-48H,3-10,12,14-16,20-21,23-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b13-11-,18-17-,22-19-/t35-,38?,39?,40?,41-,42?,43-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\C/C=C\CCCCC)=O