3-Deoxy-D-arabino-heptulosonate-7-phosphate

HCID 160647CAS 2627-73-8
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Grundinformationen

Standard-SMILES
O=C(O)C(=O)C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
InChIKey
PJWIPEXIFFQAQZ-PUFIMZNGSA-N
Summenformel
C7H13O10P
Durchschnittliche Molmasse
288,15 g/mol
Monoisotopische Masse
288,02463325

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
3-Deoxy-D-arabino-heptulosonate-7-phosphate
IUPAC
(4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-phosphonooxyheptanoic acid
Englischer Name
3-deoxy-D-arabino-heptulosonate-7-phosphate
Summenformel
C7H11Na2O10P
Molmasse
288.15

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

CAS
2627-73-8
PubChem CID
160647
DTXSID
DTXSID30949135
ChEBI
CHEBI:18150
Nikkaji
J1.124.411D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-4
Polarare Oberfläche (TPSA)
182 Ų
H-Brücken-Donoren
6
H-Brücken-Akzeptoren
10
Frei drehbare Bindungen
8
Schwere Atome
18

Physikochemische Eigenschaften

Siedepunkt
674.7 · 674.7±65.0 °C(Predicted)
Dichte
1.859 · 1.859±0.06 g/cm3(Predicted)
pka
1.84 · 1.84±0.10(Predicted)

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-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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