LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

TG(O-14:0/15:0/18:3(6Z,9Z,12Z))

Systematic Name

1-tetradecyl-2-pentadecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol

LM ID

LMGL03029AOY

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

772.694475

Formula

C₅₀H₉₂O₅

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)

DZVOPYNHXPQWGI-YCFPGBIPSA-N

InChi (Click to copy)

InChI=1S/C50H92O5/c1-4-7-10-13-16-19-22-25-26-27-29-31-34-37-40-43-49(51)54-47-48(46-53-45-42-39-36-33-30-24-21-18-15-12-9-6-3)55-50(52)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h16,19,25-26,29,31,48H,4-15,17-18,20-24,27-28,30,32-47H2,1-3H3/b19-16-,26-25-,31-29-/t48-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCC