22:6 Cholesteryl ester

From DrugPedia: A Wikipedia for Drug discovery

Current revision

[edit] Description

Show 3-D Structure

[edit] General Properties

*Molecular Weight

697.13

*Molecular Formula

C₄₉H₇₆O₂

*IUPAC NAME

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl](4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

*Canonical Smiles

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

*Isomeric Smiles

CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Pubchem
• [2]KEGG Compound
• [3]Human Metabolome DataBase