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In-Silico Structure Database (LMISSD)

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Common Name

TG(P-16:1(9Z)/20:2(11Z,14Z)/10:0)

Systematic Name

1-(1Z,9Z-hexadecadienyl)-2-(11Z,14Z-eicosadienoyl)-3-decanoyl-sn-glycerol

LM ID

LMGL03049SSL

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

756.663175

Formula

C₄₉H₈₈O₅

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)

DEQMUAVUSLAYMH-GBHJWJAZSA-N

InChi (Click to copy)

InChI=1S/C49H88O5/c1-4-7-10-13-16-18-20-22-24-25-26-27-29-31-34-37-40-43-49(51)54-47(46-53-48(50)42-39-36-33-15-12-9-6-3)45-52-44-41-38-35-32-30-28-23-21-19-17-14-11-8-5-2/h16,18-19,21-22,24,41,44,47H,4-15,17,20,23,25-40,42-43,45-46H2,1-3H3/b18-16-,21-19-,24-22-,44-41-/t47-/m1/s1

SMILES (Click to copy)

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