In-Silico Structure Database (LMISSD)
Common Name
PI(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(15Z-tetracosenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06019DW4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
994.651033
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Diacylglycerophosphoinositols [GP0601]
String Representations
InChiKey (Click to copy)
LBADDCIJWUOXHA-YBUAQMMISA-N
InChi (Click to copy)
InChI=1S/C55H95O13P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(57)67-47(46-66-69(63,64)68-55-53(61)51(59)50(58)52(60)54(55)62)45-65-48(56)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,37,39,47,50-55,58-62H,3-11,13,15-16,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3,(H,63,64)/b14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t47-,50?,51-,52?,53?,54?,55-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O