Basic information
- CAS
2627-73-8- 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- Molecular formula
- C7H13O10P
- Average molar mass
- 288.15 g/mol
- Monoisotopic mass
- 288.02463325
Overview
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.
Names & identifiers
- Preferred name
- 3-Deoxy-D-arabino-heptulosonate-7-phosphate
- IUPAC
- (4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-phosphonooxyheptanoic acid
- English name
- 3-deoxy-D-arabino-heptulosonate-7-phosphate
- Molecular formula
- C7H11Na2O10P
- Molecular weight
- 288.15
Names & synonyms
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
Show more names
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
Database identifiers
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 674.7 · 674.7±65.0 °C(Predicted)
- Density
- 1.859 · 1.859±0.06 g/cm3(Predicted)
- pka
- 1.84 · 1.84±0.10(Predicted)
Chemistry & industry
Applications
Uses3-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.
Suppliers6 total
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
BOC Sciences16314854226 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: 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.
Related reactions
3 records
Compound notes
Loading…