| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:48 UTC |
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| Update date | 2017-01-19 02:36:32 UTC |
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| FoodComEx ID | PC000657 |
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| FoodDB Record | FDB022725 |
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| Chemical Information |
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| Name | m-Aminobenzoic acid |
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| Description | m-Aminobenzoic acid is an inactive analog of 3-aminobenzamide, a known modulator of PARP activity, inhibitor of poly ADP-ribose and of the PARP-specific protease (interleukin-1 beta converting enzyme (ICE)-like protease). (PMID 8657188)
3-Aminobenzoic acid is used as an intermediate for dyes, pesticides and other organic synthesis. [HMDB] |
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| CAS Number | 99-05-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3-Aminobenzoate | hmdb | | 3-Aminobenzoesaeure | ChEBI | | 3-Aminobenzoic acid | hmdb | | 3-Carboxyaniline | hmdb | | Aniline-3-carboxylate | hmdb | | Aniline-3-carboxylic acid | hmdb | | m-Aminobenzoate | Generator | | m-Aminobenzoesaeure | ChEBI | | M-Amonibenzoate | hmdb | | M-Amonibenzoic acid | hmdb | | m-Carboxyaniline | hmdb | | MABA | ChEBI |
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| Chemical Formula | C7H7NO2 |
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| IUPAC name | 3-aminobenzoic acid |
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| InChI Identifier | InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10) |
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| InChI Key | XFDUHJPVQKIXHO-UHFFFAOYSA-N |
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| Isomeric SMILES | NC1=CC=CC(=C1)C(O)=O |
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| Average Molecular Weight | 137.136 |
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| Monoisotopic Molecular Weight | 137.047678473 |
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| Chemical Taxonomy |
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| Description | 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
- Amino acid or derivatives
- Amino acid
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Amine
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | C311 |
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| AKSci | J90194 |
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| Toronto Research Chemicals | A591490 |
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