In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](P-20:0/35:0)
Systematic Name
1-(1Z-eicosenyl)-2-pentatriacontanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08039AQA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1276.823534
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
String Representations
InChiKey (Click to copy)
AYAXZSIHDNLSHL-CQJPZKNKSA-N
InChi (Click to copy)
InChI=1S/C64H127O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-58(65)79-57(55-77-54-52-50-48-46-44-42-40-38-22-20-18-16-14-12-10-8-6-4-2)56-78-85(75,76)82-62-59(66)60(67)63(80-83(69,70)71)64(61(62)68)81-84(72,73)74/h52,54,57,59-64,66-68H,3-51,53,55-56H2,1-2H3,(H,75,76)(H2,69,70,71)(H2,72,73,74)/b54-52-/t57-,59?,60?,61?,62+,63?,64+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)CO/C=C\CCCCCCCCCCCCCCCCCC