In-Silico Structure Database (LMISSD)

Common Name
TG(27:0/15:1(9Z)/18:2(9Z,11Z))
Systematic Name
1-heptacosanoyl-2-(9Z-pentadecenoyl)-3-(9Z,11Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301JMUH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
968.877190
Formula
C63H116O6
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
ZTLRDWQUJGNTCQ-SPTNPKQYSA-N
InChi (Click to copy)
InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-26-23-20-17-14-11-8-5-2/h18,20-21,23,26,36,60H,4-17,19,22,24-25,27-35,37-59H2,1-3H3/b21-18-,23-20-,36-26-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C=C/CCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases