In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](P-22:1(9Z)/0:0)
Systematic Name
1-(1Z,9Z-docosenyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09069AAM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
878.278502
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
1Z-alkenylglycerophosphoinositol trisphosphates [GP0906]
String Representations
InChiKey (Click to copy)
OBBLZLGGQVPLAJ-VNOMDXKYSA-N
InChi (Click to copy)
InChI=1S/C31H62O20P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-46-23-25(32)24-47-55(44,45)51-28-26(33)29(48-52(35,36)37)31(50-54(41,42)43)30(27(28)34)49-53(38,39)40/h13-14,21-22,25-34H,2-12,15-20,23-24H2,1H3,(H,44,45)(H2,35,36,37)(H2,38,39,40)(H2,41,42,43)/b14-13-,22-21-/t25-,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(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CO/C=CCCCCCC/C=CCCCCCCCCCCCC