In-Silico Structure Database (LMISSD)
Common Name
TG(30:0/24:4(5Z,8Z,11Z,14Z)/35:0)
Systematic Name
1-triacontanoyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-pentatriacontanoyl-sn-glycerol
LM ID
LMGL0301J6E2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1373.315390
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
UFRRMXLMWCYTQK-DLRPMVFUSA-N
InChi (Click to copy)
InChI=1S/C92H172O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-39-41-43-44-45-46-47-49-51-53-56-58-61-64-67-70-73-76-79-82-85-91(94)97-88-89(98-92(95)86-83-80-77-74-71-68-65-62-59-54-36-33-30-27-24-21-18-15-12-9-6-3)87-96-90(93)84-81-78-75-72-69-66-63-60-57-55-52-50-48-42-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h30,33,54,59,65,68,74,77,89H,4-29,31-32,34-53,55-58,60-64,66-67,69-73,75-76,78-88H2,1-3H3/b33-30-,59-54-,68-65-,77-74-/t89-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O