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In-Silico Structure Database (LMISSD)

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Common Name

TG(14:1(9Z)/26:1(5Z)/19:0)

Systematic Name

1-(9Z-tetradecenoyl)-2-(5Z-hexacosenoyl)-3-nonadecanoyl-sn-glycerol

LM ID

LMGL03019437

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)

QKCUQOCEBQXWOC-IEVPNVTASA-N

InChi (Click to copy)

InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-34-36-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-27-25-23-20-17-14-11-8-5-2/h15,18,44,47,59H,4-14,16-17,19-43,45-46,48-58H2,1-3H3/b18-15-,47-44-/t59-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O