In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-14:0/18:3(6Z,9Z,12Z))
Systematic Name
1-(1Z-tetradecenyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP07039AMN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
948.416634
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
1-(1Z-alkenyl),2-acylglycerophosphoinositol monophosphates [GP0703]
String Representations
InChiKey (Click to copy)
PKSWPURTLPDFJY-YBXUSAHESA-N
InChi (Click to copy)
InChI=1S/C41H75O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(42)56-34(32-54-31-29-27-25-23-21-16-14-12-10-8-6-4-2)33-55-62(52,53)59-39-36(43)37(44)40(57-60(46,47)48)41(38(39)45)58-61(49,50)51/h11,13,17-18,20,22,29,31,34,36-41,43-45H,3-10,12,14-16,19,21,23-28,30,32-33H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b13-11-,18-17-,22-20-,31-29-/t34-,36?,37+,38?,39-,40?,41?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CO/C=C\CCCCCCCCCCCC