In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](18:2(6Z,9Z)/15:1(9Z))
Systematic Name
1-(6Z,9Z-octadecadienoyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019G7H
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
978.427199
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
VSWSNQCRVZYAAU-BVHUNUJASA-N
InChi (Click to copy)
InChI=1S/C42H77O19P3/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(43)56-32-34(58-36(44)31-29-27-25-23-20-16-14-12-10-8-6-4-2)33-57-64(54,55)61-42-38(46)40(59-62(48,49)50)37(45)41(39(42)47)60-63(51,52)53/h12,14,17-18,21-22,34,37-42,45-47H,3-11,13,15-16,19-20,23-33H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b14-12-,18-17-,22-21-/t34-,37?,38?,39?,40-,41?,42-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/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(CCCC/C=C\C/C=C\CCCCCCCC)=O