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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB120129 |
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Identification |
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| Name: |
3-amino-4-hydroxybenzoate |
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| Description: | The conjugate base of 3-amino-4-hydroxybenzoic acid; major species at pH 7.3. |
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Structure |
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| Synonyms: | - 3-amino-4-hydroxybenzoate
- 3-amino-4-hydroxybenzoate anion
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Chemical Formula: |
C7H6NO3 |
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| Average Molecular Weight: |
152.129 |
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| Monoisotopic Molecular
Weight: |
153.04259 |
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| InChI Key: |
MRBKRZAPGUCWOS-UHFFFAOYSA-M |
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| InChI: | InChI=1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11)/p-1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 3-amino-4-hydroxybenzoate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(=O)([O-])C1(C=C(N)C(O)=CC=1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. |
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Kingdom |
Organic compounds |
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| Super Class | Benzenoids |
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Class |
Benzene and substituted derivatives |
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| Sub Class | Benzoic acids and derivatives |
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Direct Parent |
Aminobenzoic acids |
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| Alternative Parents |
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| Substituents |
- Aminobenzoic acid
- Benzoic acid
- Benzoyl
- Aniline or substituted anilines
- Phenoxide
- Amino acid or derivatives
- Amino acid
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Amine
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic anion
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
- monohydroxybenzoate, aromatic amino-acid anion (CHEBI:60005)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -1 |
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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: |
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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: |
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