In-Silico Structure Database (LMISSD)
Common Name
LPIP2[3',4'](20:4(5Z,8Z,11Z,13E)/0:0)
Systematic Name
1-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08049ABK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
780.228834
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Monoacylglycerophosphoinositol bisphosphates [GP0804]
String Representations
InChiKey (Click to copy)
KJOIWMAOZKOTFO-ZFDIYVLPSA-N
InChi (Click to copy)
InChI=1S/C29H51O18P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)43-20-22(30)21-44-50(41,42)47-27-24(32)25(33)28(45-48(35,36)37)29(26(27)34)46-49(38,39)40/h7-10,12-13,15-16,22,24-30,32-34H,2-6,11,14,17-21H2,1H3,(H,41,42)(H2,35,36,37)(H2,38,39,40)/b8-7+,10-9-,13-12-,16-15-/t22-,24?,25?,26?,27+,28?,29+/m1/s1
SMILES (Click to copy)
[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCC/C=CC/C=CC/C=CC=CCCCCCC)=O