In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/38:0)
Systematic Name
1-(1Z,9Z-docosenyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-octatriacontanoyl-sn-glycerol
LM ID
LMGL0304A6J2
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)
IOCBNTRRLOLWKL-QLTUOTDPSA-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/h9,12,18,21,27,30,51,53,55-56,61,64,77,80,83H,4-8,10-11,13-17,19-20,22-26,28-29,31-50,52,54,57-60,62-63,65-76,78-79,81-82H2,1-3H3/b12-9-,21-18-,30-27-,55-51-,56-53-,64-61-,80-77-/t83-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC