In-Silico Structure Database (LMISSD)
Common Name
TG(26:1(5Z)/17:0/17:2(9Z,12Z))
Systematic Name
1-(5Z-hexacosenoyl)-2-heptadecanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
LM ID
LMGL0301I1TU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
968.877190
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VWAHVYNGYSQMSY-RWFALXDNSA-N
InChi (Click to copy)
InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-38-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-26-23-20-17-14-11-8-5-2/h14,17,23,26,44,47,60H,4-13,15-16,18-22,24-25,27-43,45-46,48-59H2,1-3H3/b17-14-,26-23-,47-44-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O