In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](20:4(7E,10E,13E,16E)/21:0)
Systematic Name
1-(7E,10E,13E,16E-eicosatetraenoyl)-2-heneicosanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019DGO
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)
JAKVHKWKAYQVKC-VZNHFACRSA-N
InChi (Click to copy)
InChI=1S/C50H91O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44(52)66-42(40-64-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)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/h8,10,14,16,20,22,26,28,42,45-50,53-55H,3-7,9,11-13,15,17-19,21,23-25,27,29-41H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b10-8+,16-14+,22-20+,28-26+/t42-,45?,46?,47?,48+,49?,50+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O