In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](18:1(11E)/22:1(13Z))
Systematic Name
1-(11E-octadecenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019BAC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1158.518732
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
ZKZINPGEFICKQG-SSLBTEILSA-N
InChi (Click to copy)
InChI=1S/C49H94O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)67-41(39-65-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)40-66-75(63,64)71-46-44(52)47(68-72(54,55)56)49(70-74(60,61)62)48(45(46)53)69-73(57,58)59/h14,16-17,19,41,44-49,52-53H,3-13,15,18,20-40H2,1-2H3,(H,63,64)(H2,54,55,56)(H2,57,58,59)(H2,60,61,62)/b16-14+,19-17-/t41-,44?,45?,46-,47+,48?,49?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/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(CCCCCCCCC/C=C/CCCCCC)=O