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In-Silico Structure Database (LMISSD)

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Common Name

DG(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)

Systematic Name

1-(1Z,9Z-octadecadienyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol

LM ID

LMGL02049APP

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

652.543060

Formula

C₄₃H₇₂O₄

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)

FDDXNRBCAYHZFM-JGQWCCKZSA-N

InChi (Click to copy)

InChI=1S/C43H72O4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-43(45)47-42(40-44)41-46-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,26,28,37,39,42,44H,3-4,6,8-10,12,14-16,21,24-25,27,29-36,38,40-41H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,23-22-,28-26-,39-37-/t42-/m0/s1

SMILES (Click to copy)

OC[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC