In-Silico Structure Database (LMISSD)
Common Name
TG(P-18:1(9Z)/36:0/26:1(5Z))
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-hexatriacontanoyl-3-(5Z-hexacosenoyl)-sn-glycerol
LM ID
LMGL0304AB17
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1235.210925
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
JXQINANPTVBXKN-ZXVZMSSBSA-N
InChi (Click to copy)
InChI=1S/C83H158O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-48-50-52-54-56-59-62-65-68-71-74-77-83(85)88-81(79-86-78-75-72-69-66-63-60-57-30-27-24-21-18-15-12-9-6-3)80-87-82(84)76-73-70-67-64-61-58-55-53-51-49-47-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,64,67,75,78,81H,4-26,28-29,31-63,65-66,68-74,76-77,79-80H2,1-3H3/b30-27-,67-64-,78-75-/t81-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC