In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](14:1(9Z)/17:1(9Z))
Systematic Name
1-(9Z-tetradecenoyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019AL5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
872.445216
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
HCXUKFOLYXLIPN-LYHPEZJPSA-N
InChi (Click to copy)
InChI=1S/C40H74O16P2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(42)54-32(30-52-33(41)28-26-24-22-20-18-14-12-10-8-6-4-2)31-53-58(50,51)56-40-37(45)35(43)36(44)39(38(40)46)55-57(47,48)49/h10,12,15-16,32,35-40,43-46H,3-9,11,13-14,17-31H2,1-2H3,(H,50,51)(H2,47,48,49)/b12-10-,16-15-/t32-,35?,36?,37?,38?,39-,40+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCC/C=C\CCCC)=O