Pregnanediol

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[http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1263&show=SHOW-3D Show 3-D Structure]
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'''Pregnanediol'''
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Pubchem(3032822)
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An inactive metabolite of PROGESTERONE by reduction at C5, C3, and C20 position. Pregnanediol has two hydroxyl groups, at 3-alpha and 20-alpha. It is detectable in URINE after OVULATION and is found in great quantities in the pregnancy urine.
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==Description==
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An inactive metabolite of PROGESTERONE by reduction at C5, C3, and C20   position. Pregnanediol has two hydroxyl groups, at 3-alpha and   20-alpha. It is detectable in URINE after OVULATION and is found in   great quantities in the pregnancy urine.
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==General Properties==
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<b>*Molecular Weight</b>
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'''KEGG Pathway'''(C05484,D00189)
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*C21-Steroid hormone metabolism
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320.51
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<b>*Molecular Formula</b>
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C<sub>2</sub><sub>1</sub>H<sub>3</sub><sub>6</sub>O<sub>2</sub>
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<b>*IUPAC NAME</b>
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(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol
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<b>*Canonical Smiles</b>
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CCC1CCC2C1(CCC3C2CCC4C3(CCC(C4)(O)O)C)C
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<b>*Isomeric Smiles</b>
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CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)(O)O)C)C
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==PhysioChemical Properties==
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<b>*Melting Point</b>
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<b>*LogP</b>
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<b>*Water Solubility</b>
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==External Links==
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*[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3032822]Pubchem
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*[http://www.genome.jp/dbget-bin/www_bget?compound+C05484]KEGG Compound
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*[http://www.genome.jp/dbget-bin/www_bget?drug+D00189 ]KEGG Drug
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*[http://www.hmdb.ca/metabolites/HMDB04025]Human Metabolome DataBase
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[[Categories:Hormones]]
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Current revision

Show 3-D Structure

Pregnanediol Pubchem(3032822)

An inactive metabolite of PROGESTERONE by reduction at C5, C3, and C20 position. Pregnanediol has two hydroxyl groups, at 3-alpha and 20-alpha. It is detectable in URINE after OVULATION and is found in great quantities in the pregnancy urine.

KEGG Pathway(C05484,D00189)

  • C21-Steroid hormone metabolism
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