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In-Silico Structure Database (LMISSD)

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Common Name

TG(O-14:0/14:1(9Z)/18:2(2E,4E))

Systematic Name

1-tetradecyl-2-(9Z-tetradecenoyl)-3-(2E,4E-octadecadienoyl)-sn-glycerol

LM ID

LMGL03029AMH

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

758.678825

Formula

C₄₉H₉₀O₅

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)

KZKKNOPOJXBSDA-SYSNYQJFSA-N

InChi (Click to copy)

InChI=1S/C49H90O5/c1-4-7-10-13-16-19-22-24-25-26-28-30-33-36-39-42-48(50)53-46-47(45-52-44-41-38-35-32-29-23-20-17-14-11-8-5-2)54-49(51)43-40-37-34-31-27-21-18-15-12-9-6-3/h15,18,33,36,39,42,47H,4-14,16-17,19-32,34-35,37-38,40-41,43-46H2,1-3H3/b18-15-,36-33+,42-39-/t47-/m1/s1

SMILES (Click to copy)

C(OC(=O)/C=C\C=C\CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COCCCCCCCCCCCCCC