In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-18:0/28:0)
Systematic Name
1-(1Z-octadecenyl)-2-octacosanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08039B2I
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1150.682684
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
String Representations
InChiKey (Click to copy)
LMXMJSPJORLZCR-BDSVQHIISA-N
InChi (Click to copy)
InChI=1S/C55H109O18P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-49(56)70-48(46-68-45-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2)47-69-76(66,67)73-53-50(57)51(58)54(71-74(60,61)62)55(52(53)59)72-75(63,64)65/h43,45,48,50-55,57-59H,3-42,44,46-47H2,1-2H3,(H,66,67)(H2,60,61,62)(H2,63,64,65)/b45-43-/t48-,50?,51+,52?,53-,54?,55?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CO/C=C\CCCCCCCCCCCCCCCC