Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 19:42:03 UTC |
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Updated at | 2021-08-12 19:52:20 UTC |
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NP-MRD ID | NP0002853 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-Amino-3-methoxybenzoic acid |
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Provided By | BMRB |
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Description | 3-Methoxyanthranilate belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. 3-Methoxyanthranilate exists in all living organisms, ranging from bacteria to humans. 3-Methoxyanthranilate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. It was first documented in 1998 (PMID: 9660093). Based on a literature review a small amount of articles have been published on 3-Methoxyanthranilate (PMID: 21447597) (PMID: 17984079) (PMID: 31731976) (PMID: 16442626). |
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Structure | InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
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Synonyms | Value | Source |
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3-Methoxyanthranilic acid | Kegg | 3-Methoxyanthranilate | Generator |
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Chemical Formula | C8H9NO3 |
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Average Mass | 167.1620 Da |
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Monoisotopic Mass | 167.05824 Da |
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IUPAC Name | 2-amino-3-methoxybenzoic acid |
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Traditional Name | 2-amino-3-methoxybenzoic acid |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC=CC(C(O)=O)=C1N |
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InChI Identifier | InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
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InChI Key | SXOPCLUOUFQBJV-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, ethanol, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, ethanol, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, ethanol, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. |
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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 | M-methoxybenzoic acids and derivatives |
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Alternative Parents | |
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Substituents | - M-methoxybenzoic acid or derivatives
- Aminobenzoic acid or derivatives
- Aminobenzoic acid
- Benzoic acid
- Methoxyaniline
- Aminophenyl ether
- Anisole
- Methoxybenzene
- Aniline or substituted anilines
- Phenol ether
- Benzoyl
- Phenoxy compound
- Alkyl aryl ether
- Vinylogous amide
- Amino acid
- Amino acid or derivatives
- Ether
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Amine
- 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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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]
- Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
- Wlizlo K, Polak J, Jarosz-Wilkolazka A, Pogni R, Petricci E: Novel textile dye obtained through transformation of 2-amino-3-methoxybenzoic acid by free and immobilised laccase from a Pleurotus ostreatus strain. Enzyme Microb Technol. 2020 Jan;132:109398. doi: 10.1016/j.enzmictec.2019.109398. Epub 2019 Aug 17. [PubMed:31731976 ]
- Yokoi I, Nishijima Y, Uchida A, Kabuto H, Yamamoto N, Ogawa N: Effects of kynurenine metabolites on the electrocorticographic activity in the rat. J Neural Transm (Vienna). 1998;105(2-3):147-60. doi: 10.1007/s007020050044. [PubMed:9660093 ]
- Halova-Lajoie B, Brumas V, Fiallo MM, Berthon G: Copper(II) interactions with non-steroidal anti-inflammatory agents. III--3-Methoxyanthranilic acid as a potential *OH-inactivating ligand: a quantitative investigation of its copper handling role in vivo. J Inorg Biochem. 2006 Mar;100(3):362-73. doi: 10.1016/j.jinorgbio.2005.12.002. Epub 2006 Jan 26. [PubMed:16442626 ]
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