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In-Silico Structure Database (LMISSD)

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Common Name

DG(P-14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)

Systematic Name

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

LM ID

LMGL02049ABX

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

596.480460

Formula

C₃₉H₆₄O₄

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)

MHZWODAUIHKWCX-BDLWLMBPSA-N

InChi (Click to copy)

InChI=1S/C39H64O4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-39(41)43-38(36-40)37-42-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23-24,28,30,33,35,38,40H,3-4,6,8-10,12,14-16,19,22,25-27,29,31-32,34,36-37H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,24-23-,30-28-,35-33-/t38-/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\CCCCCCCCCCCC