In-Silico Structure Database (LMISSD)
Common Name
PI(18:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-octadecanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06019A76
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
910.557133
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Diacylglycerophosphoinositols [GP0601]
String Representations
InChiKey (Click to copy)
ZIGZMOOZZCFFJF-UCHPCCCYSA-N
InChi (Click to copy)
InChI=1S/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,19-22,26,28,32,34,41,44-49,52-56H,3-4,6,8-10,12,14-18,23-25,27,29-31,33,35-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,20-19+,22-21-,28-26-,34-32-/t41-,44?,45-,46?,47?,48?,49-/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(O)C(O)C1O)COC(CCCCCCCCCCCCCCCCC)=O