In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](11:0/20:2(11Z,14Z))
Systematic Name
1-undecanoyl-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019ADP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1032.377882
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
VKUXUHTYBQHGCK-LWGVQYDKSA-N
InChi (Click to copy)
InChI=1S/C40H76O22P4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-34(42)58-32(30-56-33(41)28-26-24-22-12-10-8-6-4-2)31-57-66(54,55)62-37-35(43)38(59-63(45,46)47)40(61-65(51,52)53)39(36(37)44)60-64(48,49)50/h11,13,15-16,32,35-40,43-44H,3-10,12,14,17-31H2,1-2H3,(H,54,55)(H2,45,46,47)(H2,48,49,50)(H2,51,52,53)/b13-11-,16-15-/t32-,35?,36?,37-,38+,39?,40?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCC)=O