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In-Silico Structure Database (LMISSD)

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Common Name

TG(P-14:0/10:0/20:4(5Z,8Z,11Z,14Z))

Systematic Name

2-decanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol

LM ID

LMGL03049ABL

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

726.616225

Formula

C₄₇H₈₂O₅

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)

FJKCIFAMBLTELY-UTRDNRJRSA-N

InChi (Click to copy)

InChI=1S/C47H82O5/c1-4-7-10-13-16-18-20-22-23-24-25-26-27-29-32-34-37-40-46(48)51-44-45(52-47(49)41-38-35-31-15-12-9-6-3)43-50-42-39-36-33-30-28-21-19-17-14-11-8-5-2/h16,18,22-23,25-26,29,32,39,42,45H,4-15,17,19-21,24,27-28,30-31,33-38,40-41,43-44H2,1-3H3/b18-16-,23-22-,26-25-,32-29-,42-39-/t45-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC