In-Silico Structure Database (LMISSD)
Common Name
TG(18:1(11E)/33:0/39:0)
Systematic Name
1-(11E-octadecenoyl)-2-tritriacontanoyl-3-nonatriacontanoyl-sn-glycerol
LM ID
LMGL0301BMX7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1393.377990
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VKOIPWIQWPGSSR-WWNUMBPLSA-N
InChi (Click to copy)
InChI=1S/C93H180O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-45-46-47-48-49-51-52-54-56-58-60-62-65-68-71-74-77-80-83-86-92(95)98-89-90(88-97-91(94)85-82-79-76-73-70-67-64-27-24-21-18-15-12-9-6-3)99-93(96)87-84-81-78-75-72-69-66-63-61-59-57-55-53-50-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,90H,4-20,22-23,25-89H2,1-3H3/b24-21+/t90-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCC/C=C/CCCCCC)=O