In-Silico Structure Database (LMISSD)

Common Name
TG(26:2(5E,9Z)/18:4(9E,11E,13E,15E)/29:0)
Systematic Name
1-(5Z,9E-hexacosadienoyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-nonacosanoyl-sn-glycerol
LM ID
LMGL0301I8LK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1145.033690
Formula
C76H136O6
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)
XARPNZLIVXNUGQ-FHDORZEZSA-N
InChi (Click to copy)
InChI=1S/C76H136O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-40-42-44-46-49-51-54-57-60-63-66-69-75(78)81-72-73(82-76(79)70-67-64-61-58-55-52-47-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-48-45-43-41-39-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,15,18,21,24,27,45,47-48,56,59,73H,4-8,10-11,13-14,16-17,19-20,22-23,25-26,28-44,46,49-55,57-58,60-72H2,1-3H3/b12-9+,18-15+,24-21+,47-27+,48-45-,59-56+/t73-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O

References

Other Databases