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In-Silico Structure Database (LMISSD)

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Common Name

TG(P-14:0/13:0/20:4(7E,10E,13E,16E))

Systematic Name

2-tridecanoyl-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol

LM ID

LMGL03049AIK

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

768.663175

Formula

C₅₀H₈₈O₅

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)

RFJSZIUQRUZHED-HGTOGIBMSA-N

InChi (Click to copy)

InChI=1S/C50H88O5/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-32-34-37-40-43-49(51)54-47-48(55-50(52)44-41-38-35-31-21-18-15-12-9-6-3)46-53-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h10,13,19,22,25-26,28-29,42,45,48H,4-9,11-12,14-18,20-21,23-24,27,30-41,43-44,46-47H2,1-3H3/b13-10+,22-19+,26-25+,29-28+,45-42-/t48-/m1/s1

SMILES (Click to copy)

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