In-Silico Structure Database (LMISSD)
Common Name
TG(11:0/31:0/18:3(9Z,12Z,15Z))
Systematic Name
1-undecanoyl-2-hentriacontanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL03019KC4
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)
WKLLGWMBHLCHHS-VEXNSCQMSA-N
InChi (Click to copy)
InChI=1S/C63H116O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-40-38-24-22-20-17-14-11-8-5-2/h8,11,17,20,24,38,60H,4-7,9-10,12-16,18-19,21-23,25-37,39-59H2,1-3H3/b11-8-,20-17-,38-24-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O