LIPID MAPS

Common Name

DG(29:0/0:0/22:5(7Z,10Z,13Z,16Z,19Z))

Systematic Name

1-nonacosanoyl-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol

LM ID

LMGL02019J88

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

824.725775

Formula

C₅₄H₉₆O₅

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)

QIGOSPINRGAGES-PDSDWRHMSA-N

InChi (Click to copy)

InChI=1S/C54H96O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-47-49-54(57)59-51-52(55)50-58-53(56)48-46-44-42-40-38-36-34-32-30-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,30,32,36,38,52,55H,3-5,7,9-11,13,15-17,19,21-29,31,33-35,37,39-51H2,1-2H3/b8-6-,14-12-,20-18-,32-30-,38-36-/t52-/m0/s1

SMILES (Click to copy)

C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O