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In-Silico Structure Database (LMISSD)

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Common Name

DG(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)

Systematic Name

1-(1Z-eicosenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol

LM ID

LMGL02049AR2

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

680.574360

Formula

C₄₅H₇₆O₄

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)

OGGWSYLZKLQRBQ-ZSKHIQCHSA-N

InChi (Click to copy)

InChI=1S/C45H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-45(47)49-44(42-46)43-48-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23-24,28,30,34,36,39,41,44,46H,3-4,6,8-10,12,14-16,18,20-22,25-27,29,31-33,35,37-38,40,42-43H2,1-2H3/b7-5-,13-11-,19-17-,24-23-,30-28-,36-34-,41-39-/t44-/m0/s1

SMILES (Click to copy)

OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCCCCCCCCC