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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 | PAMDB100026 |
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Identification |
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| Name: |
2-aminobenzoylacetic acid |
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| Description: | A 3-oxo monocarboxylic acid that is benzoylacetic acid substituted at position 2 on the benzene ring by an amino group. |
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Structure |
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| Synonyms: | Not Available |
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Chemical Formula: |
C9H9NO3 |
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| Average Molecular Weight: |
179.173 |
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| Monoisotopic Molecular
Weight: |
179.058 |
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| InChI Key: |
POAXUNDIOGWQOC-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13) |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 3-(2-aminophenyl)-3-oxopropanoic acid |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C=1(C(=CC=CC1)N)C(CC(O)=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 alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
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Kingdom |
Organic compounds |
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| Super Class | Organic oxygen compounds |
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Class |
Organooxygen compounds |
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| Sub Class | Carbonyl compounds |
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Direct Parent |
Alkyl-phenylketones |
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| Alternative Parents |
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| Substituents |
- Alkyl-phenylketone
- 3-phenylpropanoic-acid
- Benzoyl
- Aryl alkyl ketone
- Aniline or substituted anilines
- Beta-keto acid
- Monocyclic benzene moiety
- Beta-hydroxy ketone
- Keto acid
- 1,3-dicarbonyl compound
- Benzenoid
- Vinylogous amide
- Amino acid
- Amino acid or derivatives
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Primary amine
- Organic nitrogen compound
- Organonitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organic oxide
- Amine
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
- Drees SL, Fetzner S. PqsE of Pseudomonas aeruginosa Acts as Pathway-Specific
Thioesterase in the Biosynthesis of Alkylquinolone Signaling Molecules. Chem
Biol. 2015 May 21;22(5):611-8. Pubmed: 25960261
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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: |
Not Available |
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