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In-Silico Structure Database (LMISSD)

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Common Name

TG(20:2(11Z,14Z)/10:0/20:1(11Z))

Systematic Name

1-(11Z,14Z-eicosadienoyl)-2-decanoyl-3-(11Z-eicosenoyl)-sn-glycerol

LM ID

LMGL0301E6XR

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

828.720690

Formula

C₅₃H₉₆O₆

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)

BTFXNNHZVBCILA-KEHIAYNUSA-N

InChi (Click to copy)

InChI=1S/C53H96O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-37-39-42-45-51(54)57-48-50(59-53(56)47-44-41-36-15-12-9-6-3)49-58-52(55)46-43-40-38-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h16,18,22-25,50H,4-15,17,19-21,26-49H2,1-3H3/b18-16-,24-22-,25-23-/t50-/m1/s1

SMILES (Click to copy)

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