In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](18:1(11E)/18:2(9Z,11Z))
Systematic Name
1-(11E-octadecenoyl)-2-(9Z,11Z-octadecadienoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019A9N
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1100.440482
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
ZQMZNTDLFCMNOE-XDOMPHFHSA-N
InChi (Click to copy)
InChI=1S/C45H84O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h13-16,18,20,37,40-45,48-49H,3-12,17,19,21-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b15-13+,16-14-,20-18-/t37-,40?,41?,42-,43+,44?,45?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\C=C/CCCCCC)=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(CCCCCCCCC/C=C/CCCCCC)=O