In-Silico Structure Database (LMISSD)
Common Name
PIP[4'](13:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-tridecanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol-4-phosphate
LM ID
LMGP07019FT6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
920.445216
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
NQRYISHKRJQENY-JXWAIXQMSA-N
InChi (Click to copy)
InChI=1S/C44H74O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(46)58-36(34-56-37(45)32-30-28-26-24-14-12-10-8-6-4-2)35-57-62(54,55)60-44-41(49)39(47)43(40(48)42(44)50)59-61(51,52)53/h5,7,11,13,17-20,22-23,27,29,36,39-44,47-50H,3-4,6,8-10,12,14-16,21,24-26,28,30-35H2,1-2H3,(H,54,55)(H2,51,52,53)/b7-5-,13-11-,18-17+,20-19-,23-22-,29-27-/t36-,39+,40?,41?,42?,43?,44-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCCC)=O