In-Silico Structure Database (LMISSD)
Common Name
TG(35:0/18:1(9E)/39:0)
Systematic Name
1-pentatriacontanoyl-2-(9E-octadecenoyl)-3-nonatriacontanoyl-sn-glycerol
LM ID
LMGL0301KUDG
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)
SJZOAHUZXSDUKN-KSNIOZTOSA-N
InChi (Click to copy)
InChI=1S/C95H184O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-47-48-49-51-53-55-57-59-61-63-65-68-70-73-76-79-82-85-88-94(97)100-91-92(101-95(98)89-86-83-80-77-74-71-66-27-24-21-18-15-12-9-6-3)90-99-93(96)87-84-81-78-75-72-69-67-64-62-60-58-56-54-52-50-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,66,92H,4-26,28-65,67-91H2,1-3H3/b66-27+/t92-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O