In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-20:1(11Z)/18:1(13Z))
Systematic Name
1-(11Z-eicosenyl)-2-(13Z-octadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029AS7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1036.541834
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
NYUNKACWXOIFGT-YJLIBGDCSA-N
InChi (Click to copy)
InChI=1S/C47H91O18P3/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-60-38-40(62-41(48)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)39-61-68(58,59)65-45-42(49)43(50)46(63-66(52,53)54)47(44(45)51)64-67(55,56)57/h10,12,17,19,40,42-47,49-51H,3-9,11,13-16,18,20-39H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b12-10-,19-17-/t40-,42?,43?,44?,45+,46?,47+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCCCC