In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](37:0/18:1(11E))
Systematic Name
1-heptatriacontanoyl-2-(11E-octadecenoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P1V
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1210.836466
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
QJCLKPLYIAPWNW-SWKMSTJFSA-N
InChi (Click to copy)
InChI=1S/C64H124O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-57(65)76-54-56(78-58(66)53-51-49-47-45-43-41-38-18-16-14-12-10-8-6-4-2)55-77-82(74,75)80-64-61(69)59(67)60(68)63(62(64)70)79-81(71,72)73/h14,16,56,59-64,67-70H,3-13,15,17-55H2,1-2H3,(H,74,75)(H2,71,72,73)/b16-14+/t56-,59-,60?,61?,62?,63?,64-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O