| Record Information |
|---|
| Version | 2.0 |
|---|
| Creation Date | 2012-08-09 09:25:03 -0600 |
|---|
| Update Date | 2015-06-03 17:21:34 -0600 |
|---|
| Secondary Accession Numbers | |
|---|
| Identification |
|---|
| Name: | 1-(2-Carboxyphenylamino)-1'-deoxyribulose-5'-phosphate |
|---|
| Description | 1-(2-carboxyphenylamino)-1'-deoxyribulose-5'-phosphate is a member of the chemical class known as Pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. It is an intermediate in the synthesis of tryptophan from chorismate. |
|---|
| Structure | |
|---|
| Synonyms: | - 1-(2-Carboxyphenylamino)-1'-deoxyribulose-5'-phosphoric acid
|
|---|
| Chemical Formula: | C12H13NO9P |
|---|
| Weight: | Average: 346.2067
Monoisotopic: 346.032792531 |
|---|
| InChI Key: | QKMBYNRMPRKVTO-UHFFFAOYSA-K |
|---|
| InChI: | InChI=1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,10-11,13,15-16H,5-6H2,(H,17,18)(H2,19,20,21)/p-3 |
|---|
| CAS number: | Not Available |
|---|
| IUPAC Name: | 2-{[3,4-dihydroxy-2-oxo-5-(phosphonatooxy)pentyl]amino}benzoate |
|---|
| Traditional IUPAC Name: | 2-{[3,4-dihydroxy-2-oxo-5-(phosphonatooxy)pentyl]amino}benzoate |
|---|
| SMILES: | OC(COP([O-])([O-])=O)C(O)C(=O)CNC1=CC=CC=C1C([O-])=O |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic oxygen compounds |
|---|
| Class | Organooxygen compounds |
|---|
| Sub Class | Carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | Pentose phosphates |
|---|
| Alternative Parents | |
|---|
| Substituents | - Pentose-5-phosphate
- Monosaccharide phosphate
- Aminobenzoic acid or derivatives
- Aminobenzoic acid
- Benzoic acid
- Benzoic acid or derivatives
- Phenylalkylamine
- Aniline or substituted anilines
- Benzoyl
- Secondary aliphatic/aromatic amine
- Benzenoid
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Beta-hydroxy ketone
- Monocyclic benzene moiety
- Acyloin
- Vinylogous amide
- Alpha-hydroxy ketone
- Alpha-aminoketone
- 1,3-aminoalcohol
- Amino acid
- Secondary alcohol
- Ketone
- Amino acid or derivatives
- 1,2-diol
- Secondary amine
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organonitrogen compound
- Carbonyl group
- Amine
- Alcohol
- Organic anion
- Aromatic homomonocyclic compound
|
|---|
| Molecular Framework | Aromatic homomonocyclic compounds |
|---|
| External Descriptors | |
|---|
| Physical Properties |
|---|
| State: | Not Available |
|---|
| Charge: | -3 |
|---|
| Melting point: | Not Available |
|---|
| Experimental Properties: | |
|---|
| Predicted Properties | |
|---|
| Biological Properties |
|---|
| Cellular Locations: | Cytoplasm |
|---|
| Reactions: | |
|---|
| SMPDB Pathways: | |
|---|
| KEGG Pathways: | Not Available |
|---|
| EcoCyc Pathways: | Not Available |
|---|
| Concentrations |
|---|
| Not Available |
|---|
| Spectra |
|---|
| Spectra: | |
|---|
| References |
|---|
| References: | - van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
|
|---|
| Synthesis Reference: | Not Available |
|---|
| Material Safety Data Sheet (MSDS) | Not Available |
|---|
| Links |
|---|
| External Links: | | Resource | Link |
|---|
| CHEBI ID | Not Available | | HMDB ID | Not Available | | Pubchem Compound ID | 25244176 | | Kegg ID | Not Available | | ChemSpider ID | 24784954 | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
|
|---|
