In-Silico Structure Database (LMISSD)
Common Name
TG(16:0/26:0/18:3(9Z,12Z,15Z))
Systematic Name
1-hexadecanoyl-2-hexacosanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL0301AKZW
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)
VVVARSQXYKVZPT-HPNHIBROSA-N
InChi (Click to copy)
InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,35,60H,4-7,9-10,12-16,18-19,21-25,27-34,36-59H2,1-3H3/b11-8-,20-17-,35-26-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O