In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](12:0/18:2(9E,11E))
Systematic Name
1-dodecanoyl-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AFM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
938.395899
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
JPDLBXXCSLLLPA-YTIQHKNOSA-N
InChi (Click to copy)
InChI=1S/C39H73O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(41)55-31(29-53-32(40)27-25-23-21-19-12-10-8-6-4-2)30-54-61(51,52)58-37-34(42)35(43)38(56-59(45,46)47)39(36(37)44)57-60(48,49)50/h13-16,31,34-39,42-44H,3-12,17-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b14-13+,16-15+/t31-,34?,35?,36?,37+,38?,39+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/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