In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-20:0/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-eicosyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029AR0
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)
DTQNQAGJAZFWPX-YLQNTARASA-N
InChi (Click to copy)
InChI=1S/C51H93O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-45(52)66-44(42-64-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)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/h5,7,11,13,17,19,23-24,28,30,44,46-51,53-55H,3-4,6,8-10,12,14-16,18,20-22,25-27,29,31-43H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b7-5-,13-11-,19-17-,24-23-,30-28-/t44-,46?,47?,48?,49+,50?,51+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCCCCCCCC