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In-Silico Structure Database (LMISSD)

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Common Name

DG(23:0/24:4(5Z,8Z,11Z,14Z)/0:0)

Systematic Name

1-tricosanoyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol

LM ID

LMGL02019D6D

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

770.678825

Formula

C₅₀H₉₀O₅

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)

QBCLYXQCABWSBP-ITPDPIQSSA-N

InChi (Click to copy)

InChI=1S/C50H90O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48(46-51)47-54-49(52)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,25,27,31,33,37,39,48,51H,3-18,20,22-24,26,28-30,32,34-36,38,40-47H2,1-2H3/b21-19-,27-25-,33-31-,39-37-/t48-/m0/s1

SMILES (Click to copy)

OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCC)=O