In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](17:2(9Z,12Z)/24:0)
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-tetracosanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019A5Y
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1172.534382
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
IRCZNPMXFCPMSY-ZTNWAJJPSA-N
InChi (Click to copy)
InChI=1S/C50H96O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-44(52)68-42(40-66-43(51)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2)41-67-76(64,65)72-47-45(53)48(69-73(55,56)57)50(71-75(61,62)63)49(46(47)54)70-74(58,59)60/h10,12,16,18,42,45-50,53-54H,3-9,11,13-15,17,19-41H2,1-2H3,(H,64,65)(H2,55,56,57)(H2,58,59,60)(H2,61,62,63)/b12-10-,18-16-/t42-,45?,46?,47-,48+,49?,50?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCC)=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=C\C/C=C\CCCC)=O