BIRD-PRD_900039: trehalose-6-phosphate

基本情報

• 登録情報: データベース: 生物学的重要分子辞書 (BIRD) / ID: PRD_900039
• 状態: 状態: REF ONLY
• 名称: trehalose-6-phosphate

BIRD information

• タイプ: オリゴ糖 / 基質類似体

詳細

• oligosaccharide with reducing-end-to-reducing-end glycosidic bond

• ダウンロード: Molecular definition / Chemical definition

Chemical information

組成

組成式: C₁₂H₂₃O₁₄P / 化学式量: 422.276

• その他: タイプ: saccharide

履歴

• 外部リンク: UniChem / ChemSpider / Wikipedia search / Google search

詳細

SMILES

• ACDLabs 12.01: O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C2O
• CACTVS 3.385: OC[CH]1O[CH](O[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
• OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O)O)O)O

SMILES CANONICAL

• CACTVS 3.385: OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
• OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O)O)O)O)O

InChI

• InChI 1.03: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,2 1,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

InChIKey

• InChI 1.03: LABSPYBHMPDTEL-LIZSDCNHSA-N

SYSTEMATIC NAME

• ACDLabs 12.01: 6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside
• OpenEye OEToolkits 1.7.6: [(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl ]methyl dihydrogen phosphate

PDBエントリ

全4件を表示しています

PDB-4xxh:
TREHALOSE REPRESSOR FROM ESCHERICHIA COLI

PDB-5dx9:
Structure of trehalose-6-phosphate phosphatase from Cryptococcus neoformans

PDB-5k44:
Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with Trehalose-6-phosphate.

PDB-6jbr:
Tps1/UDP/T6P complex