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In-Silico Structure Database (LMISSD)

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Common Name

TG(P-14:0/10:0/18:4(6Z,9Z,12Z,15Z))

Systematic Name

2-decanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol

LM ID

LMGL03049AA6

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

698.584925

Formula

C₄₅H₇₈O₅

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)

MHAXHLSIOJZXQB-MIWQLHGRSA-N

InChi (Click to copy)

InChI=1S/C45H78O5/c1-4-7-10-13-16-18-20-22-23-24-25-27-30-32-35-38-44(46)49-42-43(50-45(47)39-36-33-29-15-12-9-6-3)41-48-40-37-34-31-28-26-21-19-17-14-11-8-5-2/h7,10,16,18,22-23,25,27,37,40,43H,4-6,8-9,11-15,17,19-21,24,26,28-36,38-39,41-42H2,1-3H3/b10-7-,18-16-,23-22-,27-25-,40-37-/t43-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC