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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 | PAMDB110852 |
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Identification |
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| Name: |
chorismate |
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| Description: | Chorismic acid, more commonly known as its anionic form chorismate, is an important biochemical intermediate in plants and microorganisms. It is a precursor for the aromatic amino acids phenylalanine and tyrosine,indole, indole derivatives and tryptophan,2,3-dihydroxybenzoic acid (DHB) used for enterobactin biosynthesis,the plant hormone salicylic acid and many alkaloids and other aromatic metabolites. -- Wikipedia. |
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Structure |
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| Synonyms: | |
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Chemical Formula: |
C10H8O6
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| Average Molecular Weight: |
224.17 |
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| Monoisotopic Molecular
Weight: |
226.0477380536 |
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| InChI Key: |
WTFXTQVDAKGDEY-HTQZYQBOSA-L |
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| InChI: |
InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m1/s1 |
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| CAS
number: |
55508-12-8 |
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| IUPAC Name: | (3R,4R)-3-[(1-carboxylatoethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylate |
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Traditional IUPAC Name: |
chorismic acid |
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| SMILES: | C=C(C(=O)[O-])OC1(C(O)C=CC(C([O-])=O)=C1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
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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 |
Dicarboxylic acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Dicarboxylic acid or derivatives
- Secondary alcohol
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic homomonocyclic compound
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| Molecular Framework |
Aliphatic homomonocyclic compounds |
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| External Descriptors |
- 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid (CHEBI:17333 )
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Physical Properties |
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| State: |
Solid |
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| Charge: | -2 |
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Melting point: |
140 °C |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | 140 °C | 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: |
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References |
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| References: |
Not Available |
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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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