In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](22:2(13Z,16Z)/18:2(9E,11E))
Systematic Name
1-(13Z,16Z-docosadienoyl)-2-(9E,11E-octadecadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019DRI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
994.554766
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
LAYMYOWQLIHBRY-SHIAYCFDSA-N
InChi (Click to copy)
InChI=1S/C49H88O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)61-39-41(63-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2)40-62-67(59,60)65-49-46(54)44(52)45(53)48(47(49)55)64-66(56,57)58/h11,13-14,16-19,23,41,44-49,52-55H,3-10,12,15,20-22,24-40H2,1-2H3,(H,59,60)(H2,56,57,58)/b13-11-,16-14+,19-17-,23-18+/t41-,44?,45?,46?,47?,48-,49+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O