In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](20:3(5Z,8Z,11Z)/15:0)
Systematic Name
1-(5Z,8Z,11Z-eicosatrienoyl)-2-pentadecanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019IAN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1006.458499
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
KFUHFLHRXGZWNY-ZWIACCRHSA-N
InChi (Click to copy)
InChI=1S/C44H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(45)58-34-36(60-38(46)33-31-29-27-25-22-16-14-12-10-8-6-4-2)35-59-66(56,57)63-44-40(48)42(61-64(50,51)52)39(47)43(41(44)49)62-65(53,54)55/h17-18,20-21,24,26,36,39-44,47-49H,3-16,19,22-23,25,27-35H2,1-2H3,(H,56,57)(H2,50,51,52)(H2,53,54,55)/b18-17-,21-20-,26-24-/t36-,39?,40?,41?,42-,43?,44-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O