In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](18:1(13Z)/10:0)
Systematic Name
1-(13Z-octadecenoyl)-2-decanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019BDH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
912.380249
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
SIQWJKZSYJUWJM-SZOINOLWSA-N
InChi (Click to copy)
InChI=1S/C37H71O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-30(38)51-27-29(53-31(39)26-24-22-19-10-8-6-4-2)28-52-59(49,50)56-35-32(40)33(41)36(54-57(43,44)45)37(34(35)42)55-58(46,47)48/h9,11,29,32-37,40-42H,3-8,10,12-28H2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/b11-9-/t29-,32?,33?,34?,35+,36?,37+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCC/C=C\CCCC)=O