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In-Silico Structure Database (LMISSD)

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Common Name

DG(20:4(7E,10E,13E,16E)/27:0/0:0)

Systematic Name

1-(7E,10E,13E,16E-eicosatetraenoyl)-2-heptacosanoyl-sn-glycerol

LM ID

LMGL02019DG7

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)

KWZAAHUXIZJABP-YBNVTWSHSA-N

InChi (Click to copy)

InChI=1S/C50H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-43-45-50(53)55-48(46-51)47-54-49(52)44-42-40-38-36-34-32-30-28-20-18-16-14-12-10-8-6-4-2/h8,10,14,16,20,28,32,34,48,51H,3-7,9,11-13,15,17-19,21-27,29-31,33,35-47H2,1-2H3/b10-8+,16-14+,28-20+,34-32+/t48-/m0/s1

SMILES (Click to copy)

OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O