In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](20:5(5Z,8Z,11Z,14Z,17Z)/19:0)
Systematic Name
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-nonadecanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019DII
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
978.523466
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
PQZQBVGACMILNE-ZCJVAVTDSA-N
InChi (Click to copy)
InChI=1S/C48H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-41(49)60-38-40(62-42(50)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)39-61-66(58,59)64-48-45(53)43(51)44(52)47(46(48)54)63-65(55,56)57/h5,7,11,13,17,19,23-24,28,30,40,43-48,51-54H,3-4,6,8-10,12,14-16,18,20-22,25-27,29,31-39H2,1-2H3,(H,58,59)(H2,55,56,57)/b7-5-,13-11-,19-17-,24-23-,30-28-/t40-,43?,44?,45?,46?,47-,48+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O