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In-Silico Structure Database (LMISSD)

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Common Name

TG(26:1(5Z)/16:1(7Z)/18:1(11E))

Systematic Name

1-(5Z-hexacosenoyl)-2-(7Z-hexadecenoyl)-3-(11E-octadecenoyl)-sn-glycerol

LM ID

LMGL0301I1PA

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

String Representations

InChiKey (Click to copy)

VXOJKHVBINOLRU-MKVZXOHFSA-N

InChi (Click to copy)

InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-26-23-20-17-14-11-8-5-2/h20,23,37,42,44,47,60H,4-19,21-22,24-36,38-41,43,45-46,48-59H2,1-3H3/b23-20+,42-37-,47-44-/t60-/m0/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCC/C=C/CCCCCC)[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O