In-Silico Structure Database (LMISSD)
Common Name
TG(O-16:1(9Z)/15:1(9Z)/12:0)
Systematic Name
1-(9Z-hexadecenyl)-2-(9Z-pentadecenoyl)-3-dodecanoyl-sn-glycerol
LM ID
LMGL03029QOK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
718.647525
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Alkyldiacylglycerols [GL0302]
String Representations
InChiKey (Click to copy)
GIABMJMRFDEEDJ-VEPZJTGZSA-N
InChi (Click to copy)
InChI=1S/C46H86O5/c1-4-7-10-13-16-19-21-23-24-26-29-32-35-38-41-49-42-44(43-50-45(47)39-36-33-30-27-18-15-12-9-6-3)51-46(48)40-37-34-31-28-25-22-20-17-14-11-8-5-2/h17,19-21,44H,4-16,18,22-43H2,1-3H3/b20-17-,21-19-/t44-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COCCCCCCCC/C=C\CCCCCC