In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](14:1(9Z)/18:3(6Z,9Z,12Z))
Systematic Name
1-(9Z-tetradecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019AMN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
882.429566
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
LHEBZTXWZAVZLC-ZHZPOSTNSA-N
InChi (Click to copy)
InChI=1S/C41H72O16P2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(43)55-33(31-53-34(42)29-27-25-23-21-19-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h10-13,16-17,20,22,33,36-41,44-47H,3-9,14-15,18-19,21,23-32H2,1-2H3,(H,51,52)(H2,48,49,50)/b12-10-,13-11-,17-16-,22-20-/t33-,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](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCC/C=C\CCCC)=O