In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](14:0/18:1(9E))
Systematic Name
1-tetradecanoyl-2-(9E-octadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AJ4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1048.409182
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
UPCTVMMDYDTWKD-MKOBHIAMSA-N
InChi (Click to copy)
InChI=1S/C41H80O22P4/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(43)59-33(31-57-34(42)29-27-25-23-21-19-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h16-17,33,36-41,44-45H,3-15,18-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/b17-16+/t33-,36?,37?,38-,39+,40?,41?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=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(CCCCCCCCCCCCC)=O