In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:0/36:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-(1Z-docosenyl)-2-hexatriacontanoyl-3-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL0304AXBF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1227.148325
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
AGRNJLUXTBGBRF-IFLQASADSA-N
InChi (Click to copy)
InChI=1S/C83H150O5/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-40-41-42-43-44-45-46-47-48-50-53-56-59-62-65-68-71-74-77-83(85)88-81(79-86-78-75-72-69-66-63-60-57-54-51-35-32-29-26-23-20-17-14-11-8-5-2)80-87-82(84)76-73-70-67-64-61-58-55-52-49-33-30-27-24-21-18-15-12-9-6-3/h9,12,18,21,30,33,49,52,58,61,67,70,75,78,81H,4-8,10-11,13-17,19-20,22-29,31-32,34-48,50-51,53-57,59-60,62-66,68-69,71-74,76-77,79-80H2,1-3H3/b12-9-,21-18-,33-30+,52-49-,61-58-,70-67-,78-75-/t81-/m1/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCCCC