In-Silico Structure Database (LMISSD)
Common Name
TG(29:0/18:3(9Z,12Z,15Z)/13:0)
Systematic Name
1-nonacosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-tridecanoyl-sn-glycerol
LM ID
LMGL0301JYZU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
968.877190
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
YSCOYXKWCNXJGF-HSALEYJKSA-N
InChi (Click to copy)
InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-34-35-36-38-39-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-40-37-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,37,60H,4-7,9-10,12-16,18-19,21-24,26-36,38-59H2,1-3H3/b11-8-,20-17-,37-25-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O