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In-Silico Structure Database (LMISSD)

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Common Name

DG(P-18:1(9Z)/20:4(5E,8E,11E,14E)/0:0)

Systematic Name

1-(1Z,9Z-octadecadienyl)-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycerol

LM ID

LMGL02049APC

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

626.527410

Formula

C₄₁H₇₀O₄

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)

RYODBXKLQHDIKZ-QOWXFVCASA-N

InChi (Click to copy)

InChI=1S/C41H70O4/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(43)45-40(38-42)39-44-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,28,30,35,37,40,42H,3-10,12,14-16,21,23,25-27,29,31-34,36,38-39H2,1-2H3/b13-11+,19-17+,20-18-,24-22+,30-28+,37-35-/t40-/m0/s1

SMILES (Click to copy)

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