22:6 Cholesteryl ester

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	==Description==		==Description==
		+	[http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1298&show=SHOW-3D Show 3-D Structure]
	==General Properties==		==General Properties==

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Revision as of 13:39, 19 February 2009

Contents 1 Description 2 General Properties 3 PhysioChemical Properties 4 External Links

Description

Show 3-D Structure

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

PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

External Links

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

Categories:Hormones