Record Information |
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Version | 2.0 |
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Creation Date | 2015-07-13 12:31:44 -0600 |
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Update Date | 2015-07-23 12:07:41 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | 4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde |
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Description | |
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Structure | |
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Synonyms: | - (2E,4Z)-4-(L-Alanin-3-yl)-2-hydroxy-6-oxohexa-2,4-dienoate
- (2E,4Z)-4-(L-Alanin-3-yl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
- 4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconic acid 6-semialdehyde
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Chemical Formula: | C9H11NO6 |
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Weight: | Average: 229.188 Monoisotopic: 229.058637078 |
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InChI Key: | FNEGJFDTWWXQES-QTWONPPNSA-N |
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InChI: | InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16)/b5-1-,7-4+/t6-/m0/s1 |
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CAS number: | Not Available |
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IUPAC Name: | (2E,4Z,6S)-6-amino-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioic acid |
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Traditional IUPAC Name: | (2E,4Z,6S)-6-amino-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioic acid |
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SMILES: | N[C@@H](C\C(=C\C=O)\C=C(\O)C(O)=O)C(O)=O |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | L-alpha-amino acids |
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Alternative Parents | |
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Substituents | - L-alpha-amino acid
- Medium-chain fatty acid
- Amino fatty acid
- Branched fatty acid
- Hydroxy fatty acid
- Dicarboxylic acid or derivatives
- Fatty acyl
- Fatty acid
- Unsaturated fatty acid
- Alpha,beta-unsaturated aldehyde
- Enal
- Amino acid
- Carboxylic acid
- Enol
- Aldehyde
- Primary aliphatic amine
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Organic nitrogen compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | - (L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:16098 )
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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: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | Not Available |
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KEGG Pathways: | |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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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: | Resource | Link |
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CHEBI ID | 16098 | HMDB ID | Not Available | Pubchem Compound ID | Not Available | Kegg ID | C04796 | ChemSpider ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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