In-Silico Structure Database (LMISSD)
Common Name
TG(25:0/12:0/11:0)
Systematic Name
1-pentacosanoyl-2-dodecanoyl-3-undecanoyl-sn-glycerol
LM ID
LMGL0301IQL1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
806.736340
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
AIYDLEBCOCDAEB-DYVQZXGMSA-N
InChi (Click to copy)
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-18-15-12-9-6-3)57-51(54)45-42-39-36-32-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCC)=O