In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-14:0/28:0)
Systematic Name
1-(1Z-tetradecenyl)-2-octacosanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP07039ANS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1094.620084
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)
HOKSTUWOIOINMF-KFLYCXFMSA-N
InChi (Click to copy)
InChI=1S/C51H101O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-45(52)66-44(42-64-41-39-37-35-33-31-16-14-12-10-8-6-4-2)43-65-72(62,63)69-49-46(53)47(54)50(67-70(56,57)58)51(48(49)55)68-71(59,60)61/h39,41,44,46-51,53-55H,3-38,40,42-43H2,1-2H3,(H,62,63)(H2,56,57,58)(H2,59,60,61)/b41-39-/t44-,46?,47+,48?,49-,50?,51?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=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