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In-Silico Structure Database (LMISSD)

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Common Name

TG(13:0/18:4(6Z,9Z,12Z,15Z)/10:0)

Systematic Name

1-tridecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-decanoyl-sn-glycerol

LM ID

LMGL03019R95

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

700.564190

Formula

C₄₄H₇₆O₆

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)

IFIWZXDRNBTJRA-VHRSFEFHSA-N

InChi (Click to copy)

InChI=1S/C44H76O6/c1-4-7-10-13-16-18-20-21-22-23-24-26-29-32-35-38-44(47)50-41(39-48-42(45)36-33-30-27-15-12-9-6-3)40-49-43(46)37-34-31-28-25-19-17-14-11-8-5-2/h7,10,16,18,21-22,24,26,41H,4-6,8-9,11-15,17,19-20,23,25,27-40H2,1-3H3/b10-7-,18-16-,22-21-,26-24-/t41-/m0/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCC)=O