In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](38:0/26:1(5Z))
Systematic Name
1-octatriacontanoyl-2-(5Z-hexacosenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019P5L
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1416.943649
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
SIDBGONGZDETNT-VBHQYPAASA-N
InChi (Click to copy)
InChI=1S/C73H143O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-47-49-51-53-55-57-59-61-66(74)87-63-65(64-88-95(85,86)92-71-68(76)69(77)72(90-93(79,80)81)73(70(71)78)91-94(82,83)84)89-67(75)62-60-58-56-54-52-50-48-46-44-42-39-26-24-22-20-18-16-14-12-10-8-6-4-2/h54,56,65,68-73,76-78H,3-53,55,57-64H2,1-2H3,(H,85,86)(H2,79,80,81)(H2,82,83,84)/b56-54-/t65-,68?,69+,70?,71-,72?,73?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O