5alpha-Dihydrotestosterone sulfate
基本情報
- 標準SMILES
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(=O)(=O)O)CC[C@@H]12- InChIKey
KYVPWJSGFKNNLD-ABEVXSGRSA-N- 分子式
- C19H30O5S
- 平均分子量
- 370.5 g/mol
- 単同位体質量
- 370.18139523
概要
5alpha-dihydrotestosterone sulfate is a 3-oxo-5alpha-steroid that is 5alpha-dihydrotestosterone in which the hydroxy hydrogen at position 17 has been replaced by a sulfo group. It has a role as a human blood serum metabolite. It is a 3-oxo-5alpha-steroid and a steroid sulfate. It is functionally related to a 17beta-hydroxy-5alpha-androstan-3-one. It is a conjugate acid of a 5alpha-dihydrotestosterone sulfate(1-).
名称と識別子
- 優先名称
- 5alpha-Dihydrotestosterone sulfate
- IUPAC
- [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
名称と別名
5a-Dihydrotestosterone sulfate5alpha-Dihydrotestosterone sulfate5alpha-dihydrotestosterone 17-sulfateCHEBI:1380265alpha-Dihydrotestosterone sulphate[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate3-oxo-5alpha-androstan-17beta-yl hydrogen sulfate[(1S,2S,7S,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]oxidanesulfonic acidDHT-Sulfuric acid((1S,2S,7S,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo(8.7.0.0^(2,7).0^(11,15))heptadecan-14-yl)oxidanesulfonic acid((5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl) hydrogen sulfateDHT-Sulphuric acid
名称をさらに表示
RefChem:1035165a-Dihydrotestosterone sulphateDihydrotestosterone sulfuric acidDihydrotestosterone sulphuric acid5a-Dihydrotestosterone 17-sulfate5a-Dihydrotestosterone 17-sulphate5a-Dihydrotestosterone sulfuric acid5a-Dihydrotestosterone sulphuric acid
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 89.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 668
実験および物理化学的性質
LipidsLipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Sulfates [ST0502]
Physical DescriptionSolid
化学と産業
薬理情報
Tissue LocationsKidney
Cellular LocationsCytoplasm
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
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