In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](12:0/20:4(5Z,8Z,11Z,13E))
Systematic Name
1-dodecanoyl-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AF6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
962.395899
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
ONRKOFCYVWWKTH-YCXZKSBJSA-N
InChi (Click to copy)
InChI=1S/C41H73O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(43)57-33(31-55-34(42)29-27-25-23-21-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h13-16,18-19,22,24,33,36-41,44-46H,3-12,17,20-21,23,25-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b14-13+,16-15-,19-18-,24-22-/t33-,36?,37?,38?,39+,40?,41+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCC)=O