In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-14:0/39:0)
Systematic Name
1-(1Z-tetradecenyl)-2-nonatriacontanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP07039AN3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1248.792234
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
1-(1Z-alkenyl),2-acylglycerophosphoinositol monophosphates [GP0703]
String Representations
InChiKey (Click to copy)
WVBLAKGNHBHGSB-IQQWIERASA-N
InChi (Click to copy)
InChI=1S/C62H123O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-56(63)77-55(53-75-52-50-48-46-44-42-16-14-12-10-8-6-4-2)54-76-83(73,74)80-60-57(64)58(65)61(78-81(67,68)69)62(59(60)66)79-82(70,71)72/h50,52,55,57-62,64-66H,3-49,51,53-54H2,1-2H3,(H,73,74)(H2,67,68,69)(H2,70,71,72)/b52-50-/t55-,57?,58+,59?,60-,61?,62?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CO/C=C\CCCCCCCCCCCC