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In-Silico Structure Database (LMISSD)

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Common Name

TG(13:0/10:0/18:4(9E,11E,13E,15E))

Systematic Name

1-tridecanoyl-2-decanoyl-3-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycerol

LM ID

LMGL03019P9A

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

700.564190

Formula

C₄₄H₇₆O₆

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)

ZNBSTHUGQSPLIA-WQDMSTLJSA-N

InChi (Click to copy)

InChI=1S/C44H76O6/c1-4-7-10-13-16-18-20-21-22-23-24-26-29-31-34-37-43(46)49-40-41(50-44(47)38-35-32-27-15-12-9-6-3)39-48-42(45)36-33-30-28-25-19-17-14-11-8-5-2/h7,10,13,16,18,20-22,41H,4-6,8-9,11-12,14-15,17,19,23-40H2,1-3H3/b10-7+,16-13+,20-18+,22-21+/t41-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCC/C=C/C=C/C=C/C=C/CC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCCCCC)=O