In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](21:0/20:4(5E,8E,11E,14E))
Systematic Name
1-heneicosanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019N7T
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1088.536749
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
LKFITOGVDSEOAU-RFPZJVNMSA-N
InChi (Click to copy)
InChI=1S/C50H91O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-43(51)64-40-42(66-44(52)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)41-65-72(62,63)69-48-45(53)46(54)49(67-70(56,57)58)50(47(48)55)68-71(59,60)61/h12,14,18,20,25,27,31,33,42,45-50,53-55H,3-11,13,15-17,19,21-24,26,28-30,32,34-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b14-12+,20-18+,27-25+,33-31+/t42-,45?,46+,47?,48-,49?,50?/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](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCC)=O