In-Silico Structure Database (LMISSD)
Common Name
TG(P-22:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/10:0)
Systematic Name
1-(1Z,11Z-docosenyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-decanoyl-sn-glycerol
LM ID
LMGL0304A06G
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
862.741425
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
NHSYCVJJOYZGIS-JODUVPSBSA-N
InChi (Click to copy)
InChI=1S/C57H98O5/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-38-40-43-46-49-52-60-53-55(54-61-56(58)50-47-44-41-15-12-9-6-3)62-57(59)51-48-45-42-39-37-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h8,11,17,19,23,25-26,28-29,31,35,37,49,52,55H,4-7,9-10,12-16,18,20-22,24,27,30,32-34,36,38-48,50-51,53-54H2,1-3H3/b11-8-,19-17-,25-23-,28-26-,31-29-,37-35-,52-49-/t55-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC