In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(7Z)/20:1(11Z))
Systematic Name
1-(7Z-hexadecenoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AV2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1102.456132
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
MUKLHCVUGFNMER-BGHRIQFSSA-N
InChi (Click to copy)
InChI=1S/C45H86O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)63-37(35-61-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)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/h17-18,21,23,37,40-45,48-49H,3-16,19-20,22,24-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/b18-17-,23-21-/t37-,40?,41?,42-,43+,44?,45?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCCCC)=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(CCCCC/C=C\CCCCCCCC)=O