LIPID MAPS

Structure Database (LMSD)

Common Name

20:5 Cholesterol ester

Systematic Name

cholest-5-en-3β-yl (5Z,8Z,11Z,14Z,17Z-eicosapentaenoate)

Synonyms

CE(20:5)

LM ID

LMST01020015

Status

Active

Exact Mass

Calculate m/z

670.56888

Formula

C₄₇H₇₄O₂

Abbrev

CE 20:5

Show lipids differing only in stereochemistry/bond geometry

View MoNA MS spectra

Download as...

MDLMOL SDF CSV TSV

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

Main

Classification

String Representations

InChiKey (Click to copy)

XZFUGMCJZFRBKF-BDJFIEMMSA-N

InChi (Click to copy)

InChI=1S/C47H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,20-21,28,37-38,40-44H,7,10,13,16,19,22-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

SMILES (Click to copy)

C(/C/C=C\C/C=C\C/C=C\CC)=C/C/C=C\CCCC(O[C@@H]1CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC1)=O