In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-14:0/31:0)
Systematic Name
1-(1Z-tetradecenyl)-2-hentriacontanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP07039ANV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1136.667034
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)
RDOXDBQUDLDJDI-DLHUPROZSA-N
InChi (Click to copy)
InChI=1S/C54H107O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-48(55)69-47(45-67-44-42-40-38-36-34-16-14-12-10-8-6-4-2)46-68-75(65,66)72-52-49(56)50(57)53(70-73(59,60)61)54(51(52)58)71-74(62,63)64/h42,44,47,49-54,56-58H,3-41,43,45-46H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/b44-42-/t47-,49?,50+,51?,52-,53?,54?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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