Androstenedione

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		+	'''Androstenedione'''
		+	Pubchem(6128)
		+	A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.
		+	'''KEGG Pathway'''(C00280,D00051)
		+	*Androgen and estrogen metabolism
		+	*Prostate cancer
-	<table align='right' border=1>	+	'''Drug Type''':  Small Molecule; Illicit; Experimental
-	<tr><td>	+
-	<jmol><jmolApplet>	+
-	<size>200</size>	+
-	<script>spin on;color atoms amino;</script>	+
-	<uploadedFileContents>NPH117.SDF</uploadedFileContents>	+
-	<color>black</color>	+
-	</jmolApplet>	+
-	</jmol>	+
-	</td></tr></table>	+
-	==Description==	+
-	A delta-4 C19 steroid that is produced not only in the TESTIS, but  also in the OVARY and the ADRENAL CORTEX. Depending on the tissue  type, androstenedione can serve as a precursor to TESTOSTERONE as well  as ESTRONE and ESTRADIOL.	+
-	==General Properties==	+
-	<b>*Molecular Weight</b>	+	|28531
-		+	|1QYX
-	286.41	+	|Shi R, Lin SXCofactor hydrogen bonding onto the protein main chain is conserved in the short chain dehydrogenase/reductase family and contributes to nicotinamide orientationJ. Biol. Chem. v279, p.16778-16785
-		+	|-
-	<b>*Molecular Formula</b>	+	|}
-		+	Physical Property  Value  Units  Temp (deg C) Source
-	C<sub>1</sub><sub>9</sub>H<sub>2</sub><sub>6</sub>O<sub>2</sub>	+	|Melting Point
-		+	|158
-	<b>*IUPAC NAME</b>	+	|deg C
-		+	|
-	(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione	+	|EXP
-		+	|-
-	<b>*Canonical Smiles</b>	+	|log P (octanol-water)
-		+	|2.75
-	CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C	+	|(none)
-		+	|
-	<b>*Isomeric Smiles</b>	+	|EXP
-		+	|-
-	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C	+	|Water Solubility
-		+	|57.8
-		+	|mg/L
-	==PhysioChemical Properties==	+	|25
-		+	|EXP
-	<b>*Melting Point</b>	+	|-
-		+	|Vapor Pressure
-	158(EXP)	+	|2.46E-06
-		+	|mm Hg
-	<b>*LogP</b>	+	|25
-		+	|EST
-	2.75(EXP)	+	|-
-		+	|Henry's Law Constant
-	<b>*Water Solubility</b>	+	|3.68E-08
-		+	|atm-m3/mole
-	57.8(EXP) at 25C	+	|25
-		+	|EST
-	==External Links==	+	|-
-	*[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6128]Pubchem	+	|Atmospheric OH Rate Constant
-	*[http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=1QYX]]1QYX,	+	|1.11E-10
-	*[http://www.genome.jp/dbget-bin/www_bget?compound+C00280]]KEGG Compound	+	|cm3/molecule-sec
-	*[http://www.genome.jp/dbget-bin/www_bget?drug+D00051]]KEGG Drug	+	|25
-	*[http://www.hmdb.ca/metabolites/HMDB00053]Human Metabolome DataBase	+	|EST
-	*[http://www.drugbank.ca/drugs/DB01536]Drugbank	+	|-
-		+	|}
-	[[Categories:Hormones]]	+

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Revision as of 09:06, 30 October 2008

Androstenedione Pubchem(6128) A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.

KEGG Pathway(C00280,D00051)

• Androgen and estrogen metabolism
• Prostate cancer

Drug Type: Small Molecule; Illicit; Experimental

|28531 |1QYX |Shi R, Lin SXCofactor hydrogen bonding onto the protein main chain is conserved in the short chain dehydrogenase/reductase family and contributes to nicotinamide orientationJ. Biol. Chem. v279, p.16778-16785 |- |} Physical Property Value Units Temp (deg C) Source |Melting Point |158 |deg C | |EXP |- |log P (octanol-water) |2.75 |(none) | |EXP |- |Water Solubility |57.8 |mg/L |25 |EXP |- |Vapor Pressure |2.46E-06 |mm Hg |25 |EST |- |Henry's Law Constant |3.68E-08 |atm-m3/mole |25 |EST |- |Atmospheric OH Rate Constant |1.11E-10 |cm3/molecule-sec |25 |EST |- |}