In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-18:1(9Z)/20:4(6E,8Z,11Z,14Z))
Systematic Name
1-(9Z-octadecenyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029CMM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1030.494884
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
NAGXGBKWQJJXEB-CHFCBBSFSA-N
InChi (Click to copy)
InChI=1S/C47H85O18P3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(48)62-40(38-60-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)39-61-68(58,59)65-45-42(49)43(50)46(63-66(52,53)54)47(44(45)51)64-67(55,56)57/h11,13,17-20,22,24,26,28,40,42-47,49-51H,3-10,12,14-16,21,23,25,27,29-39H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b13-11-,19-17-,20-18-,24-22-,28-26+/t40-,42?,43+,44?,45-,46?,47?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCCCCC/C=C\CCCCCCCC