In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-20:0/22:1(13Z))
Systematic Name
1-eicosyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029ARW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1094.620084
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)
BUSNYKDXPQSYSM-YWBBQYJJSA-N
InChi (Click to copy)
InChI=1S/C51H101O18P3/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/h17,19,44,46-51,53-55H,3-16,18,20-43H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b19-17-/t44-,46?,47?,48?,49+,50?,51+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCCCCCCCC