In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](28:0/0:0)
Systematic Name
1-octacosanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049AB9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
980.382967
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
AUCKVEDEOOGLIK-MBBMAEBFSA-N
InChi (Click to copy)
InChI=1S/C37H76O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31(39)53-28-30(38)29-54-62(51,52)58-34-32(40)35(55-59(42,43)44)37(57-61(48,49)50)36(33(34)41)56-60(45,46)47/h30,32-38,40-41H,2-29H2,1H3,(H,51,52)(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)/t30-,32?,33?,34-,35+,36?,37?/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(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O