In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](16:1(7Z)/12:0)
Systematic Name
1-(7Z-hexadecenoyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019F6G
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)
XCTZOHDHLASZQK-YXNWMJNMSA-N
InChi (Click to copy)
InChI=1S/C37H71O19P3/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(38)51-27-29(53-31(39)26-24-22-20-17-12-10-8-6-4-2)28-52-59(49,50)56-37-33(41)35(54-57(43,44)45)32(40)36(34(37)42)55-58(46,47)48/h15-16,29,32-37,40-42H,3-14,17-28H2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/b16-15-/t29-,32?,33?,34?,35-,36?,37-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCC/C=C\CCCCCCCC)=O