In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](12:0/22:0)
Systematic Name
1-dodecanoyl-2-docosanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019K22
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
998.489799
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
JXSWIVFGFPNJNK-ZFVFKCRKSA-N
InChi (Click to copy)
InChI=1S/C43H85O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h35,38-43,46-48H,3-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/t35-,38?,39+,40?,41-,42?,43?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCC)=O