In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](O-20:1(9Z)/12:0)
Systematic Name
1-(9Z-eicosenyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08029CR9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
954.463584
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)
PHRITRZZXUKXNV-HFAXGQCSSA-N
InChi (Click to copy)
InChI=1S/C41H81O18P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-54-32-34(56-35(42)30-28-26-24-22-12-10-8-6-4-2)33-55-62(52,53)59-39-36(43)37(44)40(57-60(46,47)48)41(38(39)45)58-61(49,50)51/h17-18,34,36-41,43-45H,3-16,19-33H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b18-17-/t34-,36?,37+,38?,39-,40?,41?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCCCCC/C=C\CCCCCCCCCC