In-Silico Structure Database (LMISSD)
Common Name
TG(17:1(9Z)/10:0/31:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-decanoyl-3-hentriacontanoyl-sn-glycerol
LM ID
LMGL0301A14O
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
944.877190
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
AEQXFJXCKFVDJL-MSCNWXEHSA-N
InChi (Click to copy)
InChI=1S/C61H116O6/c1-4-7-10-13-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-46-48-51-54-60(63)66-57-58(67-61(64)55-52-49-44-15-12-9-6-3)56-65-59(62)53-50-47-45-42-40-38-23-21-19-17-14-11-8-5-2/h21,23,58H,4-20,22,24-57H2,1-3H3/b23-21-/t58-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O