In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-22:1(11Z)/20:4(6E,8Z,11Z,14Z))
Systematic Name
1-(11Z-docosenyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029C2R
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1086.557484
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)
GOZOKQXPKQCHHC-JBKFAOBPSA-N
InChi (Click to copy)
InChI=1S/C51H93O18P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-64-42-44(66-45(52)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2)43-65-72(62,63)69-49-46(53)47(54)50(67-70(56,57)58)51(48(49)55)68-71(59,60)61/h12,14,18,20-22,26,28,30,32,44,46-51,53-55H,3-11,13,15-17,19,23-25,27,29,31,33-43H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b14-12-,20-18-,22-21-,28-26-,32-30+/t44-,46?,47+,48?,49-,50?,51?/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)COCCCCCCCCCC/C=C\CCCCCCCCCC