In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/38:0)
Systematic Name
1-(1Z,11Z-docosenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-octatriacontanoyl-sn-glycerol
LM ID
LMGL0304A06E
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1255.179625
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
NRRIBVPPZSXWNV-ALGMPXDZSA-N
InChi (Click to copy)
InChI=1S/C85H154O5/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-52-54-57-60-63-66-69-72-75-78-84(86)89-82-83(81-88-80-77-74-71-68-65-62-59-56-53-35-32-29-26-23-20-17-14-11-8-5-2)90-85(87)79-76-73-70-67-64-61-58-55-51-33-30-27-24-21-18-15-12-9-6-3/h18,21,27,30,32,35,51,55,61,64,70,73,77,80,83H,4-17,19-20,22-26,28-29,31,33-34,36-50,52-54,56-60,62-63,65-69,71-72,74-76,78-79,81-82H2,1-3H3/b21-18-,30-27-,35-32-,55-51-,64-61-,73-70-,80-77-/t83-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC