LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

TG(24:1(15Z)/11:0/24:1(15Z))

Systematic Name

1,3-di-(15Z-tetracosenoyl)-2-undecanoyl-sn-glycerol

LM ID

LMGL0301IFYP

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

String Representations

InChiKey (Click to copy)

SYZSKFXXCVBYDP-YPAXQUSRSA-N

InChi (Click to copy)

InChI=1S/C62H116O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-39-41-43-46-48-51-54-60(63)66-57-59(68-62(65)56-53-50-45-18-15-12-9-6-3)58-67-61(64)55-52-49-47-44-42-40-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h23-26,59H,4-22,27-58H2,1-3H3/b25-23-,26-24-

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O