LIPID MAPS

In-Silico Structure Database (LMISSD)

View 3D

Common Name

DG(27:0/0:0/20:4(6E,8Z,11Z,14Z))

Systematic Name

1-heptacosanoyl-3-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol

LM ID

LMGL02019J4D

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

770.678825

Formula

C₅₀H₉₀O₅

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".

Main

Classification

String Representations

InChiKey (Click to copy)

TVNTXMYJTIWENO-IIEKAQEKSA-N

InChi (Click to copy)

InChI=1S/C50H90O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-43-45-50(53)55-47-48(51)46-54-49(52)44-42-40-38-36-34-32-30-28-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,30,32,34,36,48,51H,3-11,13,15-17,19,21-29,31,33,35,37-47H2,1-2H3/b14-12-,20-18-,32-30-,36-34+/t48-/m0/s1

SMILES (Click to copy)

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