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In-Silico Structure Database (LMISSD)

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Common Name

TG(P-16:1(11Z)/14:1(9Z)/14:1(9Z))

Systematic Name

1-(1Z,11Z-hexadecadienyl)-2-(9Z-tetradecenoyl)-3-(9Z-tetradecenoyl)-sn-glycerol

LM ID

LMGL03049K8O

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

728.631875

Formula

C₄₇H₈₄O₅

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)

WWZBNIDRLJISGR-XKVQRAIASA-N

InChi (Click to copy)

InChI=1S/C47H84O5/c1-4-7-10-13-16-19-22-23-24-27-30-33-36-39-42-50-43-45(52-47(49)41-38-35-32-29-26-21-18-15-12-9-6-3)44-51-46(48)40-37-34-31-28-25-20-17-14-11-8-5-2/h13-18,39,42,45H,4-12,19-38,40-41,43-44H2,1-3H3/b16-13-,17-14-,18-15-,42-39-/t45-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC