In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(9Z)/36:0)
Systematic Name
1-(9Z-hexadecenoyl)-2-hexatriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AZJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1328.722182
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
ACYGSOIOVRPEKT-WLLZUNASSA-N
InChi (Click to copy)
InChI=1S/C61H120O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-55(63)79-53(51-77-54(62)49-47-45-43-41-39-37-16-14-12-10-8-6-4-2)52-78-87(75,76)83-58-56(64)59(80-84(66,67)68)61(82-86(72,73)74)60(57(58)65)81-85(69,70)71/h14,16,53,56-61,64-65H,3-13,15,17-52H2,1-2H3,(H,75,76)(H2,66,67,68)(H2,69,70,71)(H2,72,73,74)/b16-14-/t53-,56?,57?,58-,59+,60?,61?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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