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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB001862 |
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Identification |
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| Name: |
1-(2-Carboxyphenylamino)-1'-deoxyribulose-5'-phosphate |
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| 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. |
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Structure |
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| Synonyms: | - 1-(2-Carboxyphenylamino)-1'-deoxyribulose-5'-phosphoric acid
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Chemical Formula: |
C12H13NO9P |
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| Average Molecular Weight: |
346.2067 |
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| Monoisotopic Molecular
Weight: |
346.032792531 |
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| InChI Key: |
QKMBYNRMPRKVTO-UHFFFAOYSA-K |
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| 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 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2-{[3,4-dihydroxy-2-oxo-5-(phosphonatooxy)pentyl]amino}benzoate |
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Traditional IUPAC Name: |
2-{[3,4-dihydroxy-2-oxo-5-(phosphonatooxy)pentyl]amino}benzoate |
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| SMILES: | OC(COP([O-])([O-])=O)C(O)C(=O)CNC1=CC=CC=C1C([O-])=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound 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. |
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Kingdom |
Organic compounds |
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| Super Class | Organooxygen compounds |
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Class |
Carbohydrates and carbohydrate conjugates |
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| Sub Class | Monosaccharides |
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Direct Parent |
Pentose phosphates |
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| Alternative Parents |
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| Substituents |
- Pentose-5-phosphate
- Monosaccharide phosphate
- Aminobenzoic acid or derivatives
- Aminobenzoic acid
- Benzoic acid
- Benzoic acid or derivatives
- Phenylalkylamine
- Substituted aniline
- Benzoyl
- Secondary aliphatic/aromatic amine
- Aniline
- Benzenoid
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Organic phosphate
- Beta-hydroxy ketone
- Beta-ketoaldehyde
- Monocyclic benzene moiety
- Acyloin
- Vinylogous amide
- Alpha-hydroxy ketone
- Alpha-aminoketone
- 1,3-aminoalcohol
- Secondary alcohol
- Ketone
- 1,2-diol
- Secondary amine
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organonitrogen compound
- Carbonyl group
- Amine
- Alcohol
- Organic anion
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -3 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Cytoplasm |
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| Reactions: | |
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Pathways: |
Not Available |
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Spectra |
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| Spectra: |
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References |
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| 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
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
| Resource | Link |
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| 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 |
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