In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](36:0/18:3(6Z,9Z,12Z))
Systematic Name
1-hexatriacontanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019FC9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1272.755849
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
CGVDOOVFALNVEA-HGUZXMOSSA-N
InChi (Click to copy)
InChI=1S/C63H119O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-56(64)77-53-55(79-57(65)52-50-48-46-44-42-40-37-18-16-14-12-10-8-6-4-2)54-78-85(75,76)82-61-58(66)59(67)62(80-83(69,70)71)63(60(61)68)81-84(72,73)74/h12,14,18,37,42,44,55,58-63,66-68H,3-11,13,15-17,19-36,38-41,43,45-54H2,1-2H3,(H,75,76)(H2,69,70,71)(H2,72,73,74)/b14-12-,37-18-,44-42-/t55-,58?,59?,60?,61+,62?,63+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O