In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](18:3(9Z,12Z,15Z)/18:1(17Z))
Systematic Name
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(13Z-octadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019B99
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1018.458499
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
OFGUASPKCNNRTR-WHMLOZAASA-N
InChi (Click to copy)
InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h4-5,7,11,13,17,19,37,40-45,48-50H,2-3,6,8-10,12,14-16,18,20-36H2,1H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b7-5-,13-11-,19-17-/t37-,40?,41?,42?,43+,44?,45+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCC=C)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O