In-Silico Structure Database (LMISSD)
Common Name
TG(29:0/38:0/18:4(9E,11E,13E,15E))
Systematic Name
1-nonacosanoyl-2-octatriacontanoyl-3-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL0301J17Y
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1317.252790
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
OQYSLPLSZAHLRX-PHDALEGLSA-N
InChi (Click to copy)
InChI=1S/C88H164O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-41-42-43-44-45-46-47-48-50-52-54-56-58-61-64-67-70-73-76-79-82-88(91)94-85(83-92-86(89)80-77-74-71-68-65-62-59-27-24-21-18-15-12-9-6-3)84-93-87(90)81-78-75-72-69-66-63-60-57-55-53-51-49-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,15,18,21,24,27,59,85H,4-8,10-11,13-14,16-17,19-20,22-23,25-26,28-58,60-84H2,1-3H3/b12-9+,18-15+,24-21+,59-27+/t85-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C/C=C/C=C/C=C/CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O