In-Silico Structure Database (LMISSD)
Common Name
LPIP[3'](22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07059ABX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
724.262501
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Monoacylglycerophosphoinositol monophosphates [GP0705]
String Representations
InChiKey (Click to copy)
MBZMXHIJPLJMDG-VWHRIHFXSA-N
InChi (Click to copy)
InChI=1S/C31H50O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(33)43-22-24(32)23-44-48(41,42)46-31-28(36)26(34)27(35)30(29(31)37)45-47(38,39)40/h3-4,6-7,9-10,12-13,15-16,18-19,24,26-32,34-37H,2,5,8,11,14,17,20-23H2,1H3,(H,41,42)(H2,38,39,40)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t24-,26?,27?,28?,29?,30-,31+/m1/s1
SMILES (Click to copy)
[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O