基本情報
- CAS
1355682-47-1- 標準SMILES
C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O- InChIKey
QTWKPFXARCNFRK-AMBDWCSGSA-N- 分子式
- C27H52O6
- 平均分子量
- 472.7 g/mol
- 単同位体質量
- 472.37638937
概要
Oscr#38 is an -hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 21-hydroxyhenicosanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a monocarboxylic acid and an omega-hydroxy fatty acid ascaroside. It is functionally related to a 21-hydroxyhenicosanoic acid. It is a conjugate acid of an oscr#38(1-).
名称と識別子
- 優先名称
- 21-[(3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heneicosanoic acid
- IUPAC
- 21-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhenicosanoic acid
名称と別名
1355682-47-121-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heneicosanoic acid21-((3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy)heneicosanoic acidRefChem:267452oscr#3821-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]henicosanoic acid21-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-henicosanoic acidCHEBI:79160DTXSID601168423LMFA13040054Q2714822121-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-heneicosanoic acid
名称をさらに表示
21-[(3,6-Dideoxy-I+/--L-arabino-hexopyranosyl)oxy]heneicosanoic acid21-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-heneicosanoic acid
データベース識別子
- CAS
1355682-47-1- PubChem CID
- 86289798
- DTXSID
DTXSID601168423- ChEBI
CHEBI:79160
物性
構造計算による物性
- XLogP
- 8.1
- 極性表面積
- 96.2 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 22
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 458
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty acyl glycosides [FA13] -> Ascarosides [FA1304]
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
読み込み中…