In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(9Z)/34:0)
Systematic Name
1-(9Z-hexadecenoyl)-2-tetratriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AZH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1300.690882
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
NUKOJOQZPHPYED-MSNJQCIGSA-N
InChi (Click to copy)
InChI=1S/C59H116O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-53(61)77-51(49-75-52(60)47-45-43-41-39-37-35-16-14-12-10-8-6-4-2)50-76-85(73,74)81-56-54(62)57(78-82(64,65)66)59(80-84(70,71)72)58(55(56)63)79-83(67,68)69/h14,16,51,54-59,62-63H,3-13,15,17-50H2,1-2H3,(H,73,74)(H2,64,65,66)(H2,67,68,69)(H2,70,71,72)/b16-14-/t51-,54?,55?,56-,57+,58?,59?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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\CCCCCC)=O