LIPID MAPS

Common Name

20:1 Cholesterol ester

Systematic Name

cholest-5-en-3β-yl (11Z-eicosenoate)

Synonyms

CE(20:1)

LM ID

LMST01020011

Status

Active

Exact Mass

Calculate m/z

678.63148

Formula

C₄₇H₈₂O₂

Abbrev

CE 20:1

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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)

OWTYWMJVQZQWFH-UQPFUGTCSA-N

InChi (Click to copy)

InChI=1S/C47H82O2/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/h14-15,28,37-38,40-44H,7-13,16-27,29-36H2,1-6H3/b15-14-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

SMILES (Click to copy)

C(C/C=C\CCCCCCCC)CCCCCCCC(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