In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](14:1(9Z)/20:1(13E))
Systematic Name
1-(9Z-tetradecenoyl)-2-(13E-eicosenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019K9L
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
994.458499
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
NVFPEUSRZNRATE-BRLCNPMKSA-N
InChi (Click to copy)
InChI=1S/C43H81O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)59-35(33-57-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)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/h10,12-13,15,35,38-43,46-48H,3-9,11,14,16-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b12-10-,15-13+/t35-,38?,39+,40?,41-,42?,43?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/C=C/CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\CCCC)=O