In-Silico Structure Database (LMISSD)
Common Name
TG(37:0/33:0/22:1(13Z))
Systematic Name
1-heptatriacontanoyl-2-tritriacontanoyl-3-(13Z-docosenoyl)-sn-glycerol
LM ID
LMGL0301K8FV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1421.409290
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
UYYPJFVCJHNUMJ-NMKBFIAOSA-N
InChi (Click to copy)
InChI=1S/C95H184O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-46-47-48-49-51-52-54-56-58-61-64-67-70-73-76-79-82-85-88-94(97)100-91-92(90-99-93(96)87-84-81-78-75-72-69-66-63-60-33-30-27-24-21-18-15-12-9-6-3)101-95(98)89-86-83-80-77-74-71-68-65-62-59-57-55-53-50-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,92H,4-26,28-29,31-91H2,1-3H3/b30-27-/t92-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O