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In-Silico Structure Database (LMISSD)

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Common Name

DG(P-20:0/24:4(5Z,8Z,11Z,14Z)/0:0)

Systematic Name

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

LM ID

LMGL02049AR6

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

712.636960

Formula

C₄₇H₈₄O₄

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)

DQZMPOSYHMMCCZ-XWPKAWQUSA-N

InChi (Click to copy)

InChI=1S/C47H84O4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-47(49)51-46(44-48)45-50-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h19,21,24-25,28,30,34,36,41,43,46,48H,3-18,20,22-23,26-27,29,31-33,35,37-40,42,44-45H2,1-2H3/b21-19-,25-24-,30-28-,36-34-,43-41-/t46-/m0/s1

SMILES (Click to copy)

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