In-Silico Structure Database (LMISSD)

Common Name
TG(27:0/14:0/18:2(9E,12E))
Systematic Name
1-heptacosanoyl-2-tetradecanoyl-3-(9E,12E-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301JMNJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.877190
Formula
C62H116O6
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)
CUHHXICGGWWZOP-CSAOBFKUSA-N
InChi (Click to copy)
InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-25-23-20-17-14-11-8-5-2/h17,20,25,35,59H,4-16,18-19,21-24,26-34,36-58H2,1-3H3/b20-17+,35-25+/t59-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases