In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](11:0/18:2(9E,11E))
Systematic Name
1-undecanoyl-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019ADB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1004.346582
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
VUINNIGUXCEJHV-IQTUNXKKSA-N
InChi (Click to copy)
InChI=1S/C38H72O22P4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-32(40)56-30(28-54-31(39)26-24-22-20-12-10-8-6-4-2)29-55-64(52,53)60-35-33(41)36(57-61(43,44)45)38(59-63(49,50)51)37(34(35)42)58-62(46,47)48/h13-16,30,33-38,41-42H,3-12,17-29H2,1-2H3,(H,52,53)(H2,43,44,45)(H2,46,47,48)(H2,49,50,51)/b14-13+,16-15+/t30-,33?,34?,35-,36+,37?,38?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=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(CCCCCCCCCC)=O