LIPID MAPS

Common Name

22:5 Cholesterol ester

Systematic Name

cholest-5-en-3β-yl (7Z,10Z,13Z,16Z,19Z-docosapentaenoate)

Synonyms

CE(22:5)

LM ID

LMST01020031

Status

Active

Exact Mass

Calculate m/z

698.60018

Formula

C₄₉H₇₈O₂

Abbrev

CE 22:5

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MDLMOL SDF CSV TSV

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

Classification

String Representations

InChiKey (Click to copy)

XOLZNHXNFMEUGA-DCDLNIKOSA-N

InChi (Click to copy)

InChI=1S/C49H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,30,39-40,42-46H,7,10,13,16,19,22-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1

SMILES (Click to copy)

C(=C/C/C=C\C/C=C\C/C=C\C/C=C\CC)/CCCCCC(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