基本情報
- CAS
2627-73-8- 標準SMILES
O=C(O)C(=O)C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O- InChIKey
PJWIPEXIFFQAQZ-PUFIMZNGSA-N- 分子式
- C7H13O10P
- 平均分子量
- 288.15 g/mol
- 単同位体質量
- 288.02463325
概要
7-phospho-2-dehydro-3-deoxy-D-arabino-heptonic acid is a ketoaldonic acid phosphate consisting of 2-dehydro-3-deoxy-D-arabino-heptonic acid having a phospho group at the 7-position. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate.
名称と識別子
- 優先名称
- 3-Deoxy-D-arabino-heptulosonate-7-phosphate
- IUPAC
- (4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-phosphonooxyheptanoic acid
- 現地名
- DAHP
- 英語名
- 3-deoxy-D-arabino-heptulosonate-7-phosphate
- 分子式
- C7H11Na2O10P
- 分子量
- 288.15
名称と別名
2-Dahp3-deoxy-D-arabino-heptulosonate-7-phosphate(4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-phosphonooxyheptanoic acid3-Deoxyarabinoheptulosonate-7-phosphate7-Phospho-2-keto-3-deoxy-D-arabinoheptonate2-Dehydro-3-deoxy-D-arabino-heptulosonic acid-7-phosphateRefChem:911275(4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-(phosphonatooxy)heptanoate2627-73-83-deoxy-7-O-phosphono-D-arabino-hept-2-ulosonic acid3-deoxy-D-arabino-heptulosonate 7-phosphate7-phospho-2-dehydro-3-deoxy-D-arabino-heptonic acid
名称をさらに表示
2-デヒドロ-3-デオキシ-D-アラビノ-ヘプトン酸7-リン酸3-デオキシ-D-アラビノ-ヘプツロソナート-7-リン酸(4R,5S,6R)-4,5,6-トリヒドロキシ-2-オキソ-7-(ホスホノオキシ)ヘプタン酸DAHP3-デオキシ-D-arabino-2-ヘプツロソン酸7-りん酸(4R,5S,6R)-2-オキソ-4,5,6-トリヒドロキシ-7-(ホスホノオキシ)ヘプタン酸3-デオキシ-D-アラビノ-ヘプツロソン酸-7-りん酸D-arabino-2-Heptulosonic acid, 3-deoxy-, 7-(dihydrogen phosphate)
3-Deoxy-D-arabino-heptulosonic acid 7-phosphate3-Deoxy-arabino-heptulonate 7-phosphate3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate3-deoxy-D-arabino-2-heptulosonic acid 7-(dihydrogen phosphate)SCHEMBL321570orb3179709CHEBI:18150
データベース識別子
- CAS
2627-73-8- PubChem CID
- 160647
- DTXSID
DTXSID30949135- ChEBI
CHEBI:18150- Nikkaji
- J1.124.411D
物性
構造計算による物性
- XLogP
- -4
- 極性表面積
- 182 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 10
- 回転可能結合数
- 8
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 348
物理化学的性質
- 沸点
- 674.7 · 674.7±65.0 °C(Predicted)
- 比重(密度)
- 1.859 · 1.859±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 1.84 · 1.84±0.10(Predicted)
化学と産業
応用分野
使用3-Deoxy-D-arabino-heptulosonate 7-Phosphate is an intermediate useful in the synthesis of 3-Deoxy-D-arabinoheptulosonic Acid 7-Phosphate Disodium Salt (D232050), which stands at the beginning of the enzyme-catalyzed cascade that starts with this seven-carbon carbohydrate and ends with the aromatic amino acids phenylalanine, tyrosine, and tryptophan.
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関連反応
3 件
化合物ノート
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