In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(7Z)/32:0)
Systematic Name
1-(7Z-hexadecenoyl)-2-dotriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AW4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1272.659582
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
GPXLDYZXDGHBKL-NBOUODAJSA-N
InChi (Click to copy)
InChI=1S/C57H112O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-51(59)75-49(47-73-50(58)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2)48-74-83(71,72)79-54-52(60)55(76-80(62,63)64)57(78-82(68,69)70)56(53(54)61)77-81(65,66)67/h33,35,49,52-57,60-61H,3-32,34,36-48H2,1-2H3,(H,71,72)(H2,62,63,64)(H2,65,66,67)(H2,68,69,70)/b35-33-/t49-,52?,53?,54-,55+,56?,57?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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(CCCCC/C=C\CCCCCCCC)=O