In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/36:0/26:2(5E,9Z))
Systematic Name
1-nonatriacontanoyl-2-hexatriacontanoyl-3-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0301LI9W
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1545.534490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
CBSWZMLEWWOALC-MUCOBKEHSA-N
InChi (Click to copy)
InChI=1S/C104H200O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-42-44-46-48-50-51-52-54-55-57-59-61-64-67-70-73-76-79-82-85-88-91-94-97-103(106)109-100-101(99-108-102(105)96-93-90-87-84-81-78-75-72-69-66-63-39-36-33-30-27-24-21-18-15-12-9-6-3)110-104(107)98-95-92-89-86-83-80-77-74-71-68-65-62-60-58-56-53-49-47-45-43-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h72,75,84,87,101H,4-71,73-74,76-83,85-86,88-100H2,1-3H3/b75-72-,87-84+/t101-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O