In-Silico Structure Database (LMISSD)
Common Name
TG(36:0/22:4(7Z,10Z,13Z,16Z)/34:0)
Systematic Name
1-hexatriacontanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-tetratriacontanoyl-sn-glycerol
LM ID
LMGL0301K1SR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1415.362340
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
MGYXXENFEJIKGZ-SLBXWEBMSA-N
InChi (Click to copy)
InChI=1S/C95H178O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-46-47-49-51-53-55-57-59-62-64-67-70-73-76-79-82-85-88-94(97)100-91-92(101-95(98)89-86-83-80-77-74-71-68-65-60-33-30-27-24-21-18-15-12-9-6-3)90-99-93(96)87-84-81-78-75-72-69-66-63-61-58-56-54-52-50-48-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,60,65,71,74,92H,4-17,19-20,22-26,28-29,31-59,61-64,66-70,72-73,75-91H2,1-3H3/b21-18-,30-27-,65-60-,74-71-/t92-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O