Androsterone

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(New page: Androsterone Pubchem(5879) A metabolite of TESTOSTERONE or ANDROSTENEDIONE with a 3-alpha-hydroxyl group and without the double bond. The 3-beta hydroxyl isomer is epiandrosterone. KEGG...)
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Androsterone
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Pubchem(5879)
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A metabolite of TESTOSTERONE or ANDROSTENEDIONE with a 3-alpha-hydroxyl group and without the double bond. The 3-beta hydroxyl isomer is epiandrosterone.
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==Description==
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A metabolite of TESTOSTERONE or ANDROSTENEDIONE with a   3-alpha-hydroxyl group and without the double bond. The 3-beta   hydroxyl isomer is epiandrosterone.
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==General Properties==
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<b>*Molecular Weight</b>
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KEGG Pathway
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Androgen and estrogen metabolism
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290.44
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|31178
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|1YB1
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<b>*Molecular Formula</b>
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|Lukacik P, Bunkoczi G, Kavanagh K, Ng S, Von Delft F, Bray J, Edwards A, Arrowsmith C, Sundstrom M, Oppermann U, Structural, Genomics Consortium (Sgc), 2004/12/18
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C<sub>1</sub><sub>9</sub>H<sub>3</sub><sub>0</sub>O<sub>2</sub>
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|31956
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|1X8J
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<b>*IUPAC NAME</b>
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|Pakhomova S, Buck J, Newcomer METhe structures of the unique sulfotransferase retinol dehydratase with product and inhibitors provide insight into enzyme mechanism and inhibitionProtein Sci. v14, p.176-182
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(3R,5S,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
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Physical Property  Value  Units  Temp (deg C) Source
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<b>*Canonical Smiles</b>
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|Melting Point
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|185
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CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
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|deg C  
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|  
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<b>*Isomeric Smiles</b>
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|EXP
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|-
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C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
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|log P (octanol-water)
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|3.69
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|(none)  
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==PhysioChemical Properties==
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|  
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|EXP
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<b>*Melting Point</b>
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|Water Solubility
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185(EXP)
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|12
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|mg/L
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<b>*LogP</b>
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|23
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|EXP
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3.69(EXP)
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|Vapor Pressure
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<b>*Water Solubility</b>
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|2.79E-08
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|mm Hg
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12(EXP) at 23C
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|25
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|EST
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==External Links==
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*[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5879]Pubchem
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|Henry's Law Constant
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*[http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=1YB1]]1YB1,[[http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=1X8J]]1X8J,
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|6.37E-09
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*[http://www.genome.jp/dbget-bin/www_bget?compound+C00523]]KEGG Compound
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|atm-m3/mole
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*[http://www.hmdb.ca/metabolites/HMDB00031]Human Metabolome DataBase
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|25
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|EST
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[[Categories:Hormones]]
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|Atmospheric OH Rate Constant
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|4.56E-11
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|cm3/molecule-sec
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|25
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|EST
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|-
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|}

Revision as of 08:57, 30 October 2008

Androsterone

Pubchem(5879)

A metabolite of TESTOSTERONE or ANDROSTENEDIONE with a 3-alpha-hydroxyl group and without the double bond. The 3-beta hydroxyl isomer is epiandrosterone.

KEGG Pathway Androgen and estrogen metabolism

|31178 |1YB1 |Lukacik P, Bunkoczi G, Kavanagh K, Ng S, Von Delft F, Bray J, Edwards A, Arrowsmith C, Sundstrom M, Oppermann U, Structural, Genomics Consortium (Sgc), 2004/12/18 |- |31956 |1X8J |Pakhomova S, Buck J, Newcomer METhe structures of the unique sulfotransferase retinol dehydratase with product and inhibitors provide insight into enzyme mechanism and inhibitionProtein Sci. v14, p.176-182 |- |} Physical Property Value Units Temp (deg C) Source |Melting Point |185 |deg C | |EXP |- |log P (octanol-water) |3.69 |(none) | |EXP |- |Water Solubility |12 |mg/L |23 |EXP |- |Vapor Pressure |2.79E-08 |mm Hg |25 |EST |- |Henry's Law Constant |6.37E-09 |atm-m3/mole |25 |EST |- |Atmospheric OH Rate Constant |4.56E-11 |cm3/molecule-sec |25 |EST |- |}

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