LIPID MAPS

Common Name

TG(14:1(9Z)/20:4(7E,10E,13E,16E)/27:0)

Systematic Name

1-(9Z-tetradecenoyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-3-heptacosanoyl-sn-glycerol

LM ID

LMGL03019310

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

978.861540

Formula

C₆₄H₁₁₄O₆

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".

Classification

String Representations

InChiKey (Click to copy)

ZHEMYGDRUUISOE-PZAZDKGKSA-N

InChi (Click to copy)

InChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-34-36-37-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-38-35-27-25-23-20-17-14-11-8-5-2/h11,14-15,18,20,23,27,35,40,43,61H,4-10,12-13,16-17,19,21-22,24-26,28-34,36-39,41-42,44-60H2,1-3H3/b14-11+,18-15-,23-20+,35-27+,43-40+/t61-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCCCCCC/C=C\CCCC)=O