In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-18:0/26:1(5Z))
Systematic Name
1-octadecyl-2-(5Z-hexacosenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029ALC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1122.651384
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
BXWPLTONBANKDH-MLYIZSEJSA-N
InChi (Click to copy)
InChI=1S/C53H105O18P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-47(54)68-46(44-66-43-41-39-37-35-33-31-29-20-18-16-14-12-10-8-6-4-2)45-67-74(64,65)71-51-48(55)49(56)52(69-72(58,59)60)53(50(51)57)70-73(61,62)63/h34,36,46,48-53,55-57H,3-33,35,37-45H2,1-2H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/b36-34-/t46-,48?,49?,50?,51+,52?,53+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCCCCCC