In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](17:2(9Z,12Z)/0:0)
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049AAN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
822.179517
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
RWXMUHDXMYWEDE-DZVNFTMJSA-N
InChi (Click to copy)
InChI=1S/C26H50O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(28)42-17-19(27)18-43-51(40,41)47-23-21(29)24(44-48(31,32)33)26(46-50(37,38)39)25(22(23)30)45-49(34,35)36/h5-6,8-9,19,21-27,29-30H,2-4,7,10-18H2,1H3,(H,40,41)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)/b6-5-,9-8-/t19-,21?,22?,23-,24+,25?,26?/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(CCCCCCC/C=CC/C=CCCCC)=O