In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](34:0/20:4(5E,8E,11E,14E))
Systematic Name
1-tetratriacontanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019E81
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1190.773866
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
OINJBJCYGJLLOV-ZDZDDBOJSA-N
InChi (Click to copy)
InChI=1S/C63H116O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49-51-56(64)75-53-55(54-76-81(73,74)79-63-60(68)58(66)59(67)62(61(63)69)78-80(70,71)72)77-57(65)52-50-48-46-44-42-40-38-35-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,38,40,44,46,55,58-63,66-69H,3-11,13,15-17,19,21-37,39,41-43,45,47-54H2,1-2H3,(H,73,74)(H2,70,71,72)/b14-12+,20-18+,40-38+,46-44+/t55-,58?,59?,60?,61?,62-,63+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O