In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](20:2(5Z,8Z)/13:0)
Systematic Name
1-(5Z,8Z-eicosadienoyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019NJM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
980.442849
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
DCZGECLTYQSBPZ-IEEGXNPHSA-N
InChi (Click to copy)
InChI=1S/C42H79O19P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-35(43)56-32-34(58-36(44)31-29-27-25-22-14-12-10-8-6-4-2)33-57-64(54,55)61-40-37(45)38(46)41(59-62(48,49)50)42(39(40)47)60-63(51,52)53/h19-20,23-24,34,37-42,45-47H,3-18,21-22,25-33H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b20-19-,24-23-/t34-,37?,38+,39?,40-,41?,42?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O