In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](P-14:0/14:1(9Z))
Systematic Name
1-(1Z-tetradecenyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP07039AHC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
896.385334
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)
MZWLXXUONLLHHO-RUCMDIAFSA-N
InChi (Click to copy)
InChI=1S/C37H71O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-50-28-30(52-31(38)26-24-22-20-18-16-14-12-10-8-6-4-2)29-51-58(48,49)55-35-32(39)33(40)36(53-56(42,43)44)37(34(35)41)54-57(45,46)47/h10,12,25,27,30,32-37,39-41H,3-9,11,13-24,26,28-29H2,1-2H3,(H,48,49)(H2,42,43,44)(H2,45,46,47)/b12-10-,27-25-/t30-,32?,33?,34?,35+,36?,37+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/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)CO/C=C\CCCCCCCCCCCC