ChemComp-IFL: (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE

基本情報

• 登録情報: データベース: PDB化学物質要素 / ID: IFL
• 名称: 名称: (3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one; 別称: ISOFAGOMINE LACTAM

Chemical information

組成

組成式: C₆H₁₁NO₄ / 原子数: 22 / 化学式量: 161.156 / 形式電荷: 0

• その他: タイプ: NON-POLYMER / PDB分類: HETAIN / 3文字コード: IFL

履歴

作成	2004年3月3日
記述子を修正	2011年6月4日
Modify synonyms	2020年6月5日

• 外部リンク: UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / PubChem / Wikipedia search / Google search

詳細

SMILES

• ACDLabs 10.04: O=C1NCC(CO)C(O)C1O
• CACTVS 3.341: OC[CH]1CNC(=O)[CH](O)[CH]1O
• OpenEye OEToolkits 1.5.0: C1C(C(C(C(=O)N1)O)O)CO

SMILES CANONICAL

• CACTVS 3.341: OC[C@H]1CNC(=O)[C@@H](O)[C@@H]1O
• OpenEye OEToolkits 1.5.0: C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO

InChI

• InChI 1.03: InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4-,5+/m1/s1

InChIKey

• InChI 1.03: ARBXEMIAJIJEQI-WDCZJNDASA-N

SYSTEMATIC NAME

• ACDLabs 10.04: (3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one
• OpenEye OEToolkits 1.5.0: (3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one

PDBエントリ

全5件を表示しています

PDB-1uz1:
Family 1 b-glucosidase from Thermotoga maritima in complex with isofagomine lactam

PDB-1uz4:
Common inhibition of beta-glucosidase and beta-mannosidase by isofagomine lactam reflects different conformational intineraries for glucoside and mannoside hydrolysis

PDB-2v38:
Family 5 endoglucanase Cel5A from Bacillus agaradhaerens in complex with cellobio-derived noeuromycin

PDB-2vjx:
Structural and biochemical evidence for a boat-like transition state in beta-mannosidases

PDB-4ayr:
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with noeuromycin