In-Silico Structure Database (LMISSD)
Common Name
TG(18:2(2E,4E)/29:0/12:0)
Systematic Name
1-(2E,4E-octadecadienoyl)-2-nonacosanoyl-3-dodecanoyl-sn-glycerol
LM ID
LMGL0301CYG0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.877190
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
HBHRMUCFAVQYNA-BODKPLOZSA-N
InChi (Click to copy)
InChI=1S/C62H116O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-35-37-39-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-36-24-22-20-17-14-11-8-5-2/h46,49,52,55,59H,4-45,47-48,50-51,53-54,56-58H2,1-3H3/b49-46+,55-52+/t59-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(/C=C/C=C/CCCCCCCCCCCCC)=O