LIPID MAPS

Common Name

TG(18:4(9E,11E,13E,15E)/13:0/20:2(5Z,8Z))

Systematic Name

1-(9E,11E,13E,15E-octadecatetraenoyl)-2-tridecanoyl-3-(5Z,8Z-eicosadienoyl)-sn-glycerol

LM ID

LMGL0301D5W9

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

836.689390

Formula

C₅₄H₉₂O₆

Predict MS/MS spectrum ([M+NH4]+)

Download as...

MDLMOL SDF CSV TSV PNG

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Classification

String Representations

InChiKey (Click to copy)

QGKWIJPXTJDYHG-YNDLQKBHSA-N

InChi (Click to copy)

InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-33-36-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-34-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-35-32-30-28-25-23-20-17-14-11-8-5-2/h8,11,14,17,20,23,25,28-29,31,36,38,51H,4-7,9-10,12-13,15-16,18-19,21-22,24,26-27,30,32-35,37,39-50H2,1-3H3/b11-8+,17-14+,23-20+,28-25+,31-29-,38-36-/t51-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCC/C=C\C/C=C\CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O