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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 | PAMDB110204 |
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Identification |
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| Name: |
aminocarboxymuconate semialdehyde |
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| Description: | The cis,cis-isomer of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate. |
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Structure |
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| Synonyms: | -
2-amino-3-carboxymuconate-6-semialdehyde
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2-amino-3-carboxymuconate semialdehyde
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2-amino-3-(3-oxoprop-1-en-1-yl)-but-2-enedioate
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cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate
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Chemical Formula: |
C7H5NO5
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| Average Molecular Weight: |
183.12 |
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| Monoisotopic Molecular
Weight: |
185.0324223404 |
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| InChI Key: |
KACPVQQHDVBVFC-OIFXTYEKSA-L |
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| InChI: |
InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/p-2/b2-1-,5-4- |
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| CAS
number: |
16597-58-3 |
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| IUPAC Name: | (2Z)-2-amino-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioate |
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Traditional IUPAC Name: |
(2Z)-2-amino-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioic acid |
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| SMILES: | C(=O)([O-])C(=C(C([O-])=O)N)C=CC=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organic acids and derivatives |
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| Sub Class | Carboxylic acids and derivatives |
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Direct Parent |
Alpha amino acids |
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| Alternative Parents |
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| Substituents |
- Alpha-amino acid
- Medium-chain fatty acid
- Amino fatty acid
- Branched fatty acid
- Dicarboxylic acid or derivatives
- Unsaturated fatty acid
- Fatty acid
- Fatty acyl
- Vinylogous amide
- Alpha,beta-unsaturated aldehyde
- Enal
- Amino acid
- Carboxylic acid
- Enamine
- Organic oxide
- Primary aliphatic amine
- Organonitrogen compound
- Organooxygen compound
- Aldehyde
- Primary amine
- Carbonyl group
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Organic nitrogen compound
- Hydrocarbon derivative
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:995 )
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Physical Properties |
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| State: |
Solid |
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| Charge: | -2 |
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Melting point: |
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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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: |
- Ftukijwatari T, Murakami M, Ohta M, Kimura N, Jin-No Y, Sasaki R, Shibata K: Changes in the urinary excretion of the metabolites of the tryptophan-niacin pathway during pregnancy in Japanese women and rats. J Nutr Sci Vitaminol (Tokyo). 2004 Dec;50(6):392-8. [15895513 ]
- He Z, Spain J: Preparation of 2-aminomuconate from 2-aminophenol by coupled enzymatic dioxygenation and dehydrogenation reactions. J Ind Microbiol Biotechnol. 1999 Aug;23(2):138-142. [10510494 ]
- NISHIZUKA Y, ICHIYAMA A, GHOLSON RK, HAYAISHI O: STUDIES ON THE METABOLISM OF THE BENZENE RING OF TRYPTOPHAN IN MAMMALIAN TISSUES. I. ENZYMIC FORMATION OF GLUTARIC ACID FROM 3-HYDROXYANTHRANILIC ACID. J Biol Chem. 1965 Feb;240:733-9. [14275129 ]
- Colabroy KL, Begley TP: Tryptophan catabolism: identification and characterization of a new degradative pathway. J Bacteriol. 2005 Nov;187(22):7866-9. [16267312 ]
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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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