Etiocholanolone

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-	'''Etiocholanolone''' (or '''aetiocholanolone''') is a metabolite of [[testosterone]]. Classified a [[ketosteroid]], it causes [[fever]], [[immunostimulation]] and [[leukocytosis]]; is used to evaluate [[adrenal cortex]] function, bone marrow performance and in [[neoplastic]] disease for immunostimulation. Synonym: 5-isoandrosterone.It is excreted in the URINE.
-	Pubchem(5880)
-	'''KEGG Pathway'''(C04373)	+
-	*Androgen and estrogen metabolism	+	<table align='right' border=1>
-	{| border="1;width:100%; height:200px;style=text-align:center"	+	<tr><td>
-	|+'''List of PDB files having Etiocholanolone as a Ligand:'''	+	<jmol><jmolApplet>
-	|-	+	<size>200</size>
-	! style="background:brown; color:white" |MMDB ID	+	<script>spin on;color atoms amino;</script>
-	! style="background:brown; color:white" |PDB ID	+	<uploadedFileContents>NPH166.SDF</uploadedFileContents>
-	! style="background:brown; color:white" |Reference	+	<color>black</color>
-	|-	+	</jmolApplet>
-	|734	+	</jmol>
-	|1DBJ	+	</td></tr></table>
-	|Arevalo JH, Stura EA, Taussig MJ, Wilson IAThree-dimensional structure of an anti-steroid Fab' and progesterone-Fab' complexJ. Mol. Biol. v231, p.103-118	+	==Description==
-	|-	+	The 5-beta-reduced isomer of ANDROSTERONE. Etiocholanolone is a major  metabolite of TESTOSTERONE and ANDROSTENEDIONE in many mammalian  species including humans. It is excreted in the URINE.
-	|}	+	==General Properties==
		+
		+	<b>*Molecular Weight</b>
		+
		+	290.44
		+
		+	<b>*Molecular Formula</b>
		+
		+	C<sub>1</sub><sub>9</sub>H<sub>3</sub><sub>0</sub>O<sub>2</sub>
		+
		+	<b>*IUPAC NAME</b>
		+
		+	(3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
		+
		+	<b>*Canonical Smiles</b>
		+
		+	CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
		+
		+	<b>*Isomeric Smiles</b>
		+
		+	C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
		+
		+
		+	==PhysioChemical Properties==
		+
		+	<b>*Melting Point</b>
		+
		+
		+
		+	<b>*LogP</b>
		+
		+
		+
		+	<b>*Water Solubility</b>
		+
		+
		+
		+	==External Links==
		+	*[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5880]Pubchem
		+	*[http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=1DBJ]]1DBJ,
		+	*[http://www.genome.jp/dbget-bin/www_bget?compound+C04373]KEGG Compound
		+	*[http://www.hmdb.ca/metabolites/HMDB00490]Human Metabolome DataBase
		+	*[http://www.drugbank.ca/drugs/DB02854]Drugbank
		+
		+	[[Categories:Hormones]]

---

Revision as of 00:00, 15 January 2001

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

Description

The 5-beta-reduced isomer of ANDROSTERONE. Etiocholanolone is a major metabolite of TESTOSTERONE and ANDROSTENEDIONE in many mammalian species including humans. It is excreted in the URINE.

General Properties

*Molecular Weight

290.44

*Molecular Formula

C₁₉H₃₀O₂

*IUPAC NAME

(3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

*Canonical Smiles

CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O

*Isomeric Smiles

C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O

PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

External Links

• [1]Pubchem
• [2]]1DBJ,
• [3]KEGG Compound
• [4]Human Metabolome DataBase
• [5]Drugbank

Categories:Hormones