In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-14:0/20:1(11Z))
Systematic Name
1-(1Z-tetradecenyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP07039AMU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
980.479234
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)
XVJQBUZHFUSLJT-RUUGJBAGSA-N
InChi (Click to copy)
InChI=1S/C43H83O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-37(44)58-36(34-56-33-31-29-27-25-23-16-14-12-10-8-6-4-2)35-57-64(54,55)61-41-38(45)39(46)42(59-62(48,49)50)43(40(41)47)60-63(51,52)53/h17-18,31,33,36,38-43,45-47H,3-16,19-30,32,34-35H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b18-17-,33-31-/t36-,38?,39+,40?,41-,42?,43?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCCCC)=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