In-Silico Structure Database (LMISSD)

Common Name
TG(15:0/26:2(5E,9Z)/18:0)
Systematic Name
1-pentadecanoyl-2-(5Z,9E-hexacosadienoyl)-3-octadecanoyl-sn-glycerol
LM ID
LMGL0301AAHB
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)
KNVYDMDXDMALIT-VGVHBCQTSA-N
InChi (Click to copy)
InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-26-23-20-17-14-11-8-5-2/h34,36,44,47,59H,4-33,35,37-43,45-46,48-58H2,1-3H3/b36-34-,47-44+/t59-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCC)=O

References

Other Databases