In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](15:1(9Z)/12:0)
Systematic Name
1-(9Z-pentadecenoyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019LC7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
898.364599
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
FWFWAGARTSXUCB-NTCZEWFZSA-N
InChi (Click to copy)
InChI=1S/C36H69O19P3/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-29(37)50-26-28(52-30(38)25-23-21-19-16-12-10-8-6-4-2)27-51-58(48,49)55-34-31(39)32(40)35(53-56(42,43)44)36(33(34)41)54-57(45,46)47/h11,13,28,31-36,39-41H,3-10,12,14-27H2,1-2H3,(H,48,49)(H2,42,43,44)(H2,45,46,47)/b13-11-/t28-,31?,32+,33?,34-,35?,36?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\CCCCC)=O