In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](12:0/16:1(9Z))
Systematic Name
1-dodecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019K1W
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)
PERHAUYHTCSLIM-CXVXXOENSA-N
InChi (Click to copy)
InChI=1S/C37H71O19P3/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-31(39)53-29(27-51-30(38)25-23-21-19-17-12-10-8-6-4-2)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/h13-14,29,32-37,40-42H,3-12,15-28H2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/b14-13-/t29-,32?,33+,34?,35-,36?,37?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCC)=O