In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](14:1(9Z)/22:2(13Z,16Z))
Systematic Name
1-(9Z-tetradecenoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019FYO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1020.474149
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
OQVHSKMRTYSIIO-MGGQLHDASA-N
InChi (Click to copy)
InChI=1S/C45H83O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-14-12-10-8-6-4-2)36-60-67(57,58)64-45-41(49)43(62-65(51,52)53)40(48)44(42(45)50)63-66(54,55)56/h10-13,16-17,37,40-45,48-50H,3-9,14-15,18-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b12-10-,13-11-,17-16-/t37-,40?,41?,42?,43-,44?,45-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\CCCC)=O