In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/13:0)
Systematic Name
1-(1Z,9Z-docosenyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-tridecanoyl-sn-glycerol
LM ID
LMGL0304A6HW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
904.788375
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
PUWQKXLUGJLUPE-PFSNZJCUSA-N
InChi (Click to copy)
InChI=1S/C60H104O5/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-63-56-58(57-64-59(61)53-50-47-44-41-21-18-15-12-9-6-3)65-60(62)54-51-48-45-42-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,31-34,37,39,52,55,58H,4-7,9-10,12-16,18-19,21-24,26,28-30,35-36,38,40-51,53-54,56-57H2,1-3H3/b11-8-,20-17-,27-25-,33-31-,34-32-,39-37-,55-52-/t58-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[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