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In-Silico Structure Database (LMISSD)

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Common Name

TG(38:0/12:0/38:0)

Systematic Name

1,3-di-octatriacontanoyl-2-dodecanoyl-sn-glycerol

LM ID

LMGL0301K81E

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

1367.362340

Formula

C₉₁H₁₇₈O₆

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)

MFHFMKZZHOXSKR-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C91H178O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-72-74-77-80-83-89(92)95-86-88(97-91(94)85-82-79-76-71-18-15-12-9-6-3)87-96-90(93)84-81-78-75-73-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h88H,4-87H2,1-3H3

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O