In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](P-14:0/29:0)
Systematic Name
1-(1Z-tetradecenyl)-2-nonacosanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP07039ANT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1108.635734
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)
XZOQIFDEOHQYNM-NFXKSMRDSA-N
InChi (Click to copy)
InChI=1S/C52H103O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-46(53)67-45(43-65-42-40-38-36-34-32-16-14-12-10-8-6-4-2)44-66-73(63,64)70-50-47(54)48(55)51(68-71(57,58)59)52(49(50)56)69-72(60,61)62/h40,42,45,47-52,54-56H,3-39,41,43-44H2,1-2H3,(H,63,64)(H2,57,58,59)(H2,60,61,62)/b42-40-/t45-,47?,48+,49?,50-,51?,52?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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