In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](37:0/18:3(9Z,12Z,15Z))
Systematic Name
1-heptatriacontanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019KQY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1286.771499
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
MVYQAWVVGRAPNV-JCGKOPRKSA-N
InChi (Click to copy)
InChI=1S/C64H121O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-57(65)78-54-56(80-58(66)53-51-49-47-45-43-41-38-18-16-14-12-10-8-6-4-2)55-79-86(76,77)83-64-60(68)62(81-84(70,71)72)59(67)63(61(64)69)82-85(73,74)75/h6,8,12,14,18,38,56,59-64,67-69H,3-5,7,9-11,13,15-17,19-37,39-55H2,1-2H3,(H,76,77)(H2,70,71,72)(H2,73,74,75)/b8-6-,14-12-,38-18-/t56-,59?,60?,61?,62-,63?,64-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O